[2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] 3-(4-chlorophenyl)sulfanylpropanoate CAS Name: 3-[(4-chlorophenyl)thio]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] 3-(4-chlorophenyl)sulfanylpropanoate Traditional Name: 3-[(4-chlorophenyl)thio]propionic 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)CCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1CCC(CC1)(C#N)NC(=O)COC(=O)CCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O3S/c19-14-4-6-15(7-5-14)25-11-8-17(23)24-12-16(22)21-18(13-20)9-2-1-3-10-18/h4-7H,1-3,8-12H2,(H,21,22)