methyl 2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopentyl]methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: methyl 2-[[2-(hydroxymethyl)-5-oxidanylidene-cyclopentyl]methylsulfanyl]pyridine-3-carboxylate Openeye Name: methyl 2-[[2-(hydroxymethyl)-5-oxo-cyclopentyl]methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[[2-(hydroxymethyl)-5-oxocyclopentyl]methylthio]-3-pyridinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(hydroxymethyl)-5-oxocyclopentyl]methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(2-keto-5-methylol-cyclopentyl)methylthio]nicotinic acid methyl ester Formula: C14H17NO4S MolecularWeight: 295.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=CC=C1)SCC2C(CCC2=O)CO

Isomeric SMILES

COC(=O)C1=C(N=CC=C1)SCC2C(CCC2=O)CO

InChI

InChI=1S/C14H17NO4S/c1-19-14(18)10-3-2-6-15-13(10)20-8-11-9(7-16)4-5-12(11)17/h2-3,6,9,11,16H,4-5,7-8H2,1H3