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

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C18H19ClN2O3S MolecularWeight: 378.87306

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)NCCSC2=CC=CC=C2)Cl)C

InChI

InChI=1S/C18H19ClN2O3S/c1-12-10-13(2)21-17(19)16(12)18(23)24-11-15(22)20-8-9-25-14-6-4-3-5-7-14/h3-7,10H,8-9,11H2,1-2H3,(H,20,22)