2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate

Systemtic Name: 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate Openeye Name: 2-butylsulfanyl-4-(hydroxymethyl)-6-methyl-pyridine-3-carboxylate CAS Name: 2-(butylthio)-4-(hydroxymethyl)-6-methyl-3-pyridinecarboxylate IUPAC Name: 2-butylsulfanyl-4-(hydroxymethyl)-6-methylpyridine-3-carboxylate Traditional Name: 2-(butylthio)-6-methyl-4-methylol-nicotinate Formula: C12H16NO3S- MolecularWeight: 254.32534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=C(C(=CC(=N1)C)CO)C(=O)[O-]

Isomeric SMILES

CCCCSC1=C(C(=CC(=N1)C)CO)C(=O)[O-]

InChI

InChI=1S/C12H17NO3S/c1-3-4-5-17-11-10(12(15)16)9(7-14)6-8(2)13-11/h6,14H,3-5,7H2,1-2H3,(H,15,16)/p-1