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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(C1)(C#N)NC(=O)COC(=O)CCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O3S/c19-14-5-7-15(8-6-14)25-11-3-4-17(23)24-12-16(22)21-18(13-20)9-1-2-10-18/h5-8H,1-4,9-12H2,(H,21,22)