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

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C19H21ClN2O3S MolecularWeight: 392.89964

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

Isomeric SMILES

CCC(C)(C)NC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C19H21ClN2O3S/c1-4-19(2,3)22-16(23)12-25-18(24)13-8-7-11-21-17(13)26-15-10-6-5-9-14(15)20/h5-11H,4,12H2,1-3H3,(H,22,23)