[2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(p-tolylsulfanyl)ethylamino]ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[2-[(4-methylphenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-methylphenyl)sulfanylethylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-keto-2-[2-(p-tolylthio)ethylamino]ethyl] ester Formula: C17H17ClN2O3S MolecularWeight: 364.84648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SCCNC(=O)COC(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S/c1-12-2-5-14(6-3-12)24-9-8-19-16(21)11-23-17(22)13-4-7-15(18)20-10-13/h2-7,10H,8-9,11H2,1H3,(H,19,21)