[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O3S/c1-13(18(24)23-14-7-2-3-8-14)26-20(25)15-9-6-12-22-19(15)27-17-11-5-4-10-16(17)21/h4-6,9-14H,2-3,7-8H2,1H3,(H,23,24)/t13-/m1/s1