[2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate

Systemtic Name: [2-(3-chloranyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-methylsulfanylpyridine-3-carboxylate Openeye Name: [2-(3-chloro-4-methoxy-phenyl)-2-oxo-ethyl] 2-methylsulfanylpyridine-3-carboxylate CAS Name: 2-(methylthio)-3-pyridinecarboxylic acid [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-methoxyphenyl)-2-oxoethyl] 2-methylsulfanylpyridine-3-carboxylate Traditional Name: 2-(methylthio)nicotinic acid [2-(3-chloro-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C16H14ClNO4S MolecularWeight: 351.80466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=C(N=CC=C2)SC)Cl

InChI

InChI=1S/C16H14ClNO4S/c1-21-14-6-5-10(8-12(14)17)13(19)9-22-16(20)11-4-3-7-18-15(11)23-2/h3-8H,9H2,1-2H3