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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

InChI

InChI=1S/C19H22N2O3S/c1-3-4-11-20-17(22)13-24-19(23)16-6-5-12-21-18(16)25-15-9-7-14(2)8-10-15/h5-10,12H,3-4,11,13H2,1-2H3,(H,20,22)