8-[[4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid

Systemtic Name: 8-[[4-[2-[(4-ethoxycarbonylphenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Openeye Name: 8-[[4-[2-(4-ethoxycarbonylanilino)-2-oxo-1-phenyl-ethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid CAS Name: 8-[[4-[[2-(4-ethoxycarbonylanilino)-2-oxo-1-phenylethyl]thio]anilino]-oxomethyl]-1-naphthalenecarboxylic acid IUPAC Name: 8-[[4-[2-(4-ethoxycarbonylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]naphthalene-1-carboxylic acid Traditional Name: 8-[[4-[[2-(4-carbethoxyanilino)-2-keto-1-phenyl-ethyl]thio]phenyl]carbamoyl]-1-naphthoic acid Formula: C35H28N2O6S MolecularWeight: 604.67162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=CC=C(C=C3)NC(=O)C4=CC=CC5=C4C(=CC=C5)C(=O)O

InChI

InChI=1S/C35H28N2O6S/c1-2-43-35(42)24-14-16-25(17-15-24)37-33(39)31(23-8-4-3-5-9-23)44-27-20-18-26(19-21-27)36-32(38)28-12-6-10-22-11-7-13-29(30(22)28)34(40)41/h3-21,31H,2H2,1H3,(H,36,38)(H,37,39)(H,40,41)