[2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-[(4-chlorophenyl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-chlorophenyl)thio]methyl]benzoic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)C2=CC=C(C=C2)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H21ClN2O3S/c23-18-7-9-19(10-8-18)29-14-16-3-5-17(6-4-16)21(27)28-13-20(26)25-22(15-24)11-1-2-12-22/h3-10H,1-2,11-14H2,(H,25,26)