[2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate

Systemtic Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxidanylidene-ethyl] 2-chloranyl-4,6-dimethyl-pyridine-3-carboxylate Openeye Name: [2-[5-(acetamidomethyl)-2-thienyl]-2-oxo-ethyl] 2-chloro-4,6-dimethyl-pyridine-3-carboxylate CAS Name: 2-chloro-4,6-dimethyl-3-pyridinecarboxylic acid [2-[5-(acetamidomethyl)-2-thiophenyl]-2-oxoethyl] ester IUPAC Name: [2-[5-(acetamidomethyl)thiophen-2-yl]-2-oxoethyl] 2-chloro-4,6-dimethylpyridine-3-carboxylate Traditional Name: 2-chloro-4,6-dimethyl-nicotinic acid [2-[5-(acetamidomethyl)-2-thienyl]-2-keto-ethyl] ester Formula: C17H17ClN2O4S MolecularWeight: 380.84588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C)Cl)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)OCC(=O)C2=CC=C(S2)CNC(=O)C)Cl)C

InChI

InChI=1S/C17H17ClN2O4S/c1-9-6-10(2)20-16(18)15(9)17(23)24-8-13(22)14-5-4-12(25-14)7-19-11(3)21/h4-6H,7-8H2,1-3H3,(H,19,21)