[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]ethanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate CAS Name: 2-[(2-chlorophenyl)methylthio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 2-[(2-chlorophenyl)methylsulfanyl]acetate Traditional Name: 2-[(2-chlorobenzyl)thio]acetic acid [2-[(1-cyanocyclohexyl)amino]-2-keto-ethyl] ester Formula: C18H21ClN2O3S MolecularWeight: 380.88894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSCC2=CC=CC=C2Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CSCC2=CC=CC=C2Cl

InChI

InChI=1S/C18H21ClN2O3S/c19-15-7-3-2-6-14(15)11-25-12-17(23)24-10-16(22)21-18(13-20)8-4-1-5-9-18/h2-3,6-7H,1,4-5,8-12H2,(H,21,22)