1-cyanoethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: 1-cyanoethyl 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: 1-cyanoethyl 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]benzoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]benzoic acid 1-cyanoethyl ester Formula: C19H18N2O3S MolecularWeight: 354.42282

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N2O3S/c1-13-7-9-15(10-8-13)21-18(22)12-25-17-6-4-3-5-16(17)19(23)24-14(2)11-20/h3-10,14H,12H2,1-2H3,(H,21,22)