[(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [(2R)-1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [(1R)-2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [(1R)-2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

Isomeric SMILES

C[C@H](C(=O)NC1CCCC1)OC(=O)C2=C(N=CC=C2)SC3=CC=C(C=C3)Cl

InChI

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