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

Systemtic Name: [2-[(1-cyanocyclopentyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Openeye Name: [2-[(1-cyanocyclopentyl)amino]-2-oxo-ethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate CAS Name: (2R)-2-[(4-chlorophenyl)thio]propanoic acid [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate Traditional Name: (2R)-2-[(4-chlorophenyl)thio]propionic acid [2-[(1-cyanocyclopentyl)amino]-2-keto-ethyl] ester Formula: C17H19ClN2O3S MolecularWeight: 366.86236

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1(CCCC1)C#N)SC2=CC=C(C=C2)Cl

Isomeric SMILES

C[C@H](C(=O)OCC(=O)NC1(CCCC1)C#N)SC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H19ClN2O3S/c1-12(24-14-6-4-13(18)5-7-14)16(22)23-10-15(21)20-17(11-19)8-2-3-9-17/h4-7,12H,2-3,8-10H2,1H3,(H,20,21)/t12-/m1/s1