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

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate CAS Name: 2-[(4-chlorophenyl)thio]-3-pyridinecarboxylic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-(4-chlorophenyl)sulfanylpyridine-3-carboxylate Traditional Name: 2-[(4-chlorophenyl)thio]nicotinic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19ClN2O3S/c1-2-3-10-20-16(22)12-24-18(23)15-5-4-11-21-17(15)25-14-8-6-13(19)7-9-14/h4-9,11H,2-3,10,12H2,1H3,(H,20,22)