(4-chlorophenyl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-chlorophenyl)methyl 2-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-chlorophenyl)methyl 2-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-cyanoanilino)-2-oxoethyl]thio]benzoic acid (4-chlorophenyl)methyl ester IUPAC Name: (4-chlorophenyl)methyl 2-[2-(3-cyanoanilino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]benzoic acid (4-chlorobenzyl) ester Formula: C23H17ClN2O3S MolecularWeight: 436.91068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Cl)SCC(=O)NC3=CC=CC(=C3)C#N

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC2=CC=C(C=C2)Cl)SCC(=O)NC3=CC=CC(=C3)C#N

InChI

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