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

Systemtic Name: [2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)carbonylbenzoate Openeye Name: [2-(3-methylsulfanylanilino)-2-oxo-ethyl] 2-(3,4-dimethylbenzoyl)benzoate CAS Name: 2-[(3,4-dimethylphenyl)-oxomethyl]benzoic acid [2-[3-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylsulfanylanilino)-2-oxoethyl] 2-(3,4-dimethylbenzoyl)benzoate Traditional Name: 2-(3,4-dimethylbenzoyl)benzoic acid [2-keto-2-[3-(methylthio)anilino]ethyl] ester Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)SC)C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC3=CC(=CC=C3)SC)C

InChI

InChI=1S/C25H23NO4S/c1-16-11-12-18(13-17(16)2)24(28)21-9-4-5-10-22(21)25(29)30-15-23(27)26-19-7-6-8-20(14-19)31-3/h4-14H,15H2,1-3H3,(H,26,27)