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

Systemtic Name: [2-[(1-cyanocyclohexyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(1-cyanocyclohexyl)amino]-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclohexyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(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:

CC(C(=O)OCC(=O)NC1(CCCCC1)C#N)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1(CCCCC1)C#N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H21ClN2O3S/c1-13(25-15-7-5-14(19)6-8-15)17(23)24-11-16(22)21-18(12-20)9-3-2-4-10-18/h5-8,13H,2-4,9-11H2,1H3,(H,21,22)/t13-/m1/s1