[2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-oxo-2-[2-(2-thienylmethylsulfanyl)ethylamino]ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-oxo-2-[2-(thiophen-2-ylmethylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(thiophen-2-ylmethylsulfanyl)ethylamino]ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-keto-2-[2-(2-thenylthio)ethylamino]ethyl] ester Formula: C17H19ClN2O3S2 MolecularWeight: 398.92736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NCCSCC2=CC=CS2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NCCSCC2=CC=CS2)Cl)C

InChI

InChI=1S/C17H19ClN2O3S2/c1-11-8-12(2)20-16(18)15(11)17(22)23-9-14(21)19-5-7-24-10-13-4-3-6-25-13/h3-4,6,8H,5,7,9-10H2,1-2H3,(H,19,21)