Name: Name:2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate
Brand: Angene
SKU: AG01EVQU
Rating: 90 (10 reviews)

2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate

CAS No.:

374615-77-7

Catalog Number:

AG01EVQU

Molecular Formula:

C26H20ClNO4S2

Molecular Weight:

510.0243

Catalog Number:

AG01EVQU

Chemical Name:

2-Methoxy-4-{[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}-phenyl 4-chlorobenzoate

CAS Number:

374615-77-7

Molecular Formula:

C26H20ClNO4S2

Molecular Weight:

510.0243

MDL Number:

MFCD01960111

IUPAC Name:

[2-methoxy-4-[(E)-[4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl]phenyl] 4-chlorobenzoate

InChI:

InChI=1S/C26H20ClNO4S2/c1-16(18-6-4-3-5-7-18)28-24(29)23(34-26(28)33)15-17-8-13-21(22(14-17)31-2)32-25(30)19-9-11-20(27)12-10-19/h3-16H,1-2H3/b23-15+

InChI Key:

FHRQZYUFFHDYON-HZHRSRAPSA-N

SMILES:

COc1cc(ccc1OC(=O)c1ccc(cc1)Cl)/C=C\1/SC(=S)N(C1=O)C(c1ccccc1)C

Complexity:

792

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

509.052g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

510.019g/mol

Monoisotopic Mass:

509.052g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

113A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.9