[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 6-chloranylpyridine-3-carboxylate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 6-chloropyridine-3-carboxylate CAS Name: 6-chloro-3-pyridinecarboxylic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 6-chloropyridine-3-carboxylate Traditional Name: 6-chloronicotinic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C16H14Cl2N2O3S MolecularWeight: 385.26496

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CN=C(C=C2)Cl)Cl

Isomeric SMILES

C1=CC(=CC=C1SCCNC(=O)COC(=O)C2=CN=C(C=C2)Cl)Cl

InChI

InChI=1S/C16H14Cl2N2O3S/c17-12-2-4-13(5-3-12)24-8-7-19-15(21)10-23-16(22)11-1-6-14(18)20-9-11/h1-6,9H,7-8,10H2,(H,19,21)