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

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] pyridine-3-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H15ClN2O3S MolecularWeight: 350.8199

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CN=C1)C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H15ClN2O3S/c17-13-3-5-14(6-4-13)23-9-8-19-15(20)11-22-16(21)12-2-1-7-18-10-12/h1-7,10H,8-9,11H2,(H,19,20)