[2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: [2-[(4-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [2-(4-methylsulfanylanilino)-2-oxo-ethyl] 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [2-[4-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(4-methylsulfanylanilino)-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [2-keto-2-[4-(methylthio)anilino]ethyl] ester Formula: C27H27NO6S MolecularWeight: 493.57138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC=C(C=C3)SC)OCC

InChI

InChI=1S/C27H27NO6S/c1-4-32-23-15-10-18(16-24(23)33-5-2)26(30)21-8-6-7-9-22(21)27(31)34-17-25(29)28-19-11-13-20(35-3)14-12-19/h6-16H,4-5,17H2,1-3H3,(H,28,29)