2-(cyclohexylmethylsulfanyl)pyridine-3-carboxylate

Systemtic Name: 2-(cyclohexylmethylsulfanyl)pyridine-3-carboxylate Openeye Name: 2-(cyclohexylmethylsulfanyl)pyridine-3-carboxylate CAS Name: 2-(cyclohexylmethylthio)-3-pyridinecarboxylate IUPAC Name: 2-(cyclohexylmethylsulfanyl)pyridine-3-carboxylate Traditional Name: 2-(cyclohexylmethylthio)nicotinate Formula: C13H16NO2S- MolecularWeight: 250.33664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CSC2=C(C=CC=N2)C(=O)[O-]

Isomeric SMILES

C1CCC(CC1)CSC2=C(C=CC=N2)C(=O)[O-]

InChI

InChI=1S/C13H17NO2S/c15-13(16)11-7-4-8-14-12(11)17-9-10-5-2-1-3-6-10/h4,7-8,10H,1-3,5-6,9H2,(H,15,16)/p-1