2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid

Systemtic Name: 2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid Openeye Name: 2-(2-morpholinoethylsulfanyl)pyridine-3-carboxylic acid CAS Name: 2-[2-(4-morpholinyl)ethylthio]-3-pyridinecarboxylic acid IUPAC Name: 2-(2-morpholin-4-ylethylsulfanyl)pyridine-3-carboxylic acid Traditional Name: 2-(2-morpholinoethylthio)nicotinic acid Formula: C12H16N2O3S MolecularWeight: 268.33204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1COCCN1CCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C12H16N2O3S/c15-12(16)10-2-1-3-13-11(10)18-9-6-14-4-7-17-8-5-14/h1-3H,4-9H2,(H,15,16)