(2-chlorophenyl) 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate

Systemtic Name: (2-chlorophenyl) 2-[2-(2-ethylpiperidin-1-yl)-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylate Openeye Name: (2-chlorophenyl) 2-[2-(2-ethyl-1-piperidyl)-2-oxo-ethyl]sulfanylpyridine-3-carboxylate CAS Name: 2-[[2-(2-ethyl-1-piperidinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid (2-chlorophenyl) ester IUPAC Name: (2-chlorophenyl) 2-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]sulfanylpyridine-3-carboxylate Traditional Name: 2-[[2-(2-ethylpiperidino)-2-keto-ethyl]thio]nicotinic acid (2-chlorophenyl) ester Formula: C21H23ClN2O3S MolecularWeight: 418.93692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl

Isomeric SMILES

CCC1CCCCN1C(=O)CSC2=C(C=CC=N2)C(=O)OC3=CC=CC=C3Cl

InChI

InChI=1S/C21H23ClN2O3S/c1-2-15-8-5-6-13-24(15)19(25)14-28-20-16(9-7-12-23-20)21(26)27-18-11-4-3-10-17(18)22/h3-4,7,9-12,15H,2,5-6,8,13-14H2,1H3