(4-cyanophenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-cyanophenyl)methyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-cyanophenyl)methyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid (4-cyanobenzyl) ester Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)OCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H20N2O3S/c1-17-6-12-20(13-7-17)26-23(27)16-30-22-5-3-2-4-21(22)24(28)29-15-19-10-8-18(14-25)9-11-19/h2-13H,15-16H2,1H3,(H,26,27)