methyl 2-phenacylsulfanylpyridine-4-carboxylate

Systemtic Name: methyl 2-phenacylsulfanylpyridine-4-carboxylate Openeye Name: methyl 2-phenacylsulfanylpyridine-4-carboxylate CAS Name: 2-(phenacylthio)-4-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-phenacylsulfanylpyridine-4-carboxylate Traditional Name: 2-(phenacylthio)isonicotinic acid methyl ester Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=NC=C1)SCC(=O)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC(=NC=C1)SCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO3S/c1-19-15(18)12-7-8-16-14(9-12)20-10-13(17)11-5-3-2-4-6-11/h2-9H,10H2,1H3