[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H23N3O4S MolecularWeight: 413.49002

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)NC3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)OCC(=O)NC(=O)NC3CCCC3

InChI

InChI=1S/C21H23N3O4S/c1-14-8-10-16(11-9-14)29-19-17(7-4-12-22-19)20(26)28-13-18(25)24-21(27)23-15-5-2-3-6-15/h4,7-12,15H,2-3,5-6,13H2,1H3,(H2,23,24,25,27)