[2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(4-cyanophenyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-(4-cyanoanilino)-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-cyanoanilino)-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-(4-cyanoanilino)-2-keto-ethyl] ester Formula: C23H17ClN2O3S MolecularWeight: 436.91068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)C#N

InChI

InChI=1S/C23H17ClN2O3S/c24-19-7-11-21(12-8-19)30-15-17-1-5-18(6-2-17)23(28)29-14-22(27)26-20-9-3-16(13-25)4-10-20/h1-12H,14-15H2,(H,26,27)