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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(3,4-dimethylphenyl)thio]-3-pyridinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(3,4-dimethylphenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(3,4-dimethylphenyl)thio]nicotinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C20H24N2O3S MolecularWeight: 372.48116

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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)C

Isomeric SMILES

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

InChI

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