Name: Name:2-Methoxy-4-{[(5E)-4-oxo-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 4-nitrobenzoate
Brand: Angene
SKU: AG01EVQV
Rating: 90 (10 reviews)

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

CAS No.:

374617-50-2

Catalog Number:

AG01EVQV

Molecular Formula:

C26H20N2O6S2

Molecular Weight:

520.5768

Catalog Number:

AG01EVQV

Chemical Name:

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

CAS Number:

374617-50-2

Molecular Formula:

C26H20N2O6S2

Molecular Weight:

520.5768

MDL Number:

MFCD01960448

IUPAC Name:

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

InChI:

InChI=1S/C26H20N2O6S2/c1-16(18-6-4-3-5-7-18)27-24(29)23(36-26(27)35)15-17-8-13-21(22(14-17)33-2)34-25(30)19-9-11-20(12-10-19)28(31)32/h3-16H,1-2H3/b23-15+

InChI Key:

YHSOOHMVHBNLOY-HZHRSRAPSA-N

SMILES:

COc1cc(ccc1OC(=O)c1ccc(cc1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)C(c1ccccc1)C

Complexity:

876

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

520.076g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

520.574g/mol

Monoisotopic Mass:

520.076g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

159A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

6.1