[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-(3,4-diethoxyphenyl)carbonylbenzoate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 2-(3,4-diethoxybenzoyl)benzoate CAS Name: 2-[(3,4-diethoxyphenyl)-oxomethyl]benzoic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 2-(3,4-diethoxybenzoyl)benzoate Traditional Name: 2-(3,4-diethoxybenzoyl)benzoic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C29H31NO6S MolecularWeight: 521.62454

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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)NCCSC3=CC=C(C=C3)C)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NCCSC3=CC=C(C=C3)C)OCC

InChI

InChI=1S/C29H31NO6S/c1-4-34-25-15-12-21(18-26(25)35-5-2)28(32)23-8-6-7-9-24(23)29(33)36-19-27(31)30-16-17-37-22-13-10-20(3)11-14-22/h6-15,18H,4-5,16-17,19H2,1-3H3,(H,30,31)