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

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(2-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(2-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(2-chlorophenyl)thio]nicotinic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=C(N=CC=C1)SC2=CC=CC=C2Cl

InChI

InChI=1S/C18H19ClN2O3S/c1-12(2)10-21-16(22)11-24-18(23)13-6-5-9-20-17(13)25-15-8-4-3-7-14(15)19/h3-9,12H,10-11H2,1-2H3,(H,21,22)