Name: Name:4-{[(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate
Brand: Angene
SKU: AG01F2EO
Rating: 90 (10 reviews)

4-{[(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

CAS No.:

374616-61-2

Catalog Number:

AG01F2EO

Molecular Formula:

C26H23NO6S3

Molecular Weight:

541.6589

Catalog Number:

AG01F2EO

Chemical Name:

4-{[(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-2-methoxyphenyl thiophene-2-carboxylate

CAS Number:

374616-61-2

Molecular Formula:

C26H23NO6S3

Molecular Weight:

541.6589

MDL Number:

MFCD03461600

IUPAC Name:

[4-[(Z)-[3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]-2-methoxyphenyl] thiophene-2-carboxylate

InChI:

InChI=1S/C26H23NO6S3/c1-30-18-8-6-16(13-20(18)31-2)10-11-27-24(28)23(36-26(27)34)15-17-7-9-19(21(14-17)32-3)33-25(29)22-5-4-12-35-22/h4-9,12-15H,10-11H2,1-3H3/b23-15-

InChI Key:

LALNSKBQPRKWKM-HAHDFKILSA-N

SMILES:

COc1cc(ccc1OC(=O)c1cccs1)/C=C/1\SC(=S)N(C1=O)CCc1ccc(c(c1)OC)OC

Complexity:

839

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

541.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

541.651g/mol

Monoisotopic Mass:

541.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

160A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.3