[2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[(4-butylphenyl)amino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(4-butylanilino)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(4-butylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-butylanilino)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(4-butylanilino)-2-keto-ethyl] ester Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)COC(=O)C2=C(N=CC=C2)SC

InChI

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