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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-(p-tolylsulfanyl)pyridine-3-carboxylate CAS Name: 2-[(4-methylphenyl)thio]-3-pyridinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(4-methylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-(p-tolylthio)nicotinic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=C(C=C2)C

InChI

InChI=1S/C20H24N2O3S/c1-5-20(3,4)22-17(23)13-25-19(24)16-7-6-12-21-18(16)26-15-10-8-14(2)9-11-15/h6-12H,5,13H2,1-4H3,(H,22,23)