[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H17ClN2O3S2 MolecularWeight: 396.91148

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H17ClN2O3S2/c1-24-16-14(3-2-8-20-16)17(22)23-11-15(21)19-9-10-25-13-6-4-12(18)5-7-13/h2-8H,9-11H2,1H3,(H,19,21)