4,6-dimethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylic acid

Systemtic Name: 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxidanylidene-ethyl)sulfanyl-pyridine-3-carboxylic acid Openeye Name: 4,6-dimethyl-2-(2-morpholino-2-oxo-ethyl)sulfanyl-pyridine-3-carboxylic acid CAS Name: 4,6-dimethyl-2-[[2-(4-morpholinyl)-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 4,6-dimethyl-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-keto-2-morpholino-ethyl)thio]-4,6-dimethyl-nicotinic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1C(=O)O)SCC(=O)N2CCOCC2)C

Isomeric SMILES

CC1=CC(=NC(=C1C(=O)O)SCC(=O)N2CCOCC2)C

InChI

InChI=1S/C14H18N2O4S/c1-9-7-10(2)15-13(12(9)14(18)19)21-8-11(17)16-3-5-20-6-4-16/h7H,3-6,8H2,1-2H3,(H,18,19)