2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-(1-morpholin-4-yl-1-oxidanylidene-propan-2-yl)sulfanylpyridine-3-carboxylic acid Openeye Name: 2-(1-methyl-2-morpholino-2-oxo-ethyl)sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[1-(4-morpholinyl)-1-oxopropan-2-yl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-(1-morpholin-4-yl-1-oxopropan-2-yl)sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[(2-keto-1-methyl-2-morpholino-ethyl)thio]nicotinic acid Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCOCC1)SC2=C(C=CC=N2)C(=O)O

Isomeric SMILES

CC(C(=O)N1CCOCC1)SC2=C(C=CC=N2)C(=O)O

InChI

InChI=1S/C13H16N2O4S/c1-9(12(16)15-5-7-19-8-6-15)20-11-10(13(17)18)3-2-4-14-11/h2-4,9H,5-8H2,1H3,(H,17,18)