2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(4-morpholin-4-yl-4-oxidanylidene-butyl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(4-morpholino-4-oxo-butyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[4-(4-morpholinyl)-4-oxobutyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(4-morpholin-4-yl-4-oxobutyl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(4-keto-4-morpholino-butyl)thio]nicotinic acid Formula: C14H18N2O4S MolecularWeight: 310.36872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)CCCSC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

C1COCCN1C(=O)CCCSC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C14H18N2O4S/c17-12(16-6-8-20-9-7-16)4-2-10-21-13-11(14(18)19)3-1-5-15-13/h1,3,5H,2,4,6-10H2,(H,18,19)