6-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[[5-(2-methoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid Openeye Name: 6-[5-(2-methoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 6-[[5-(2-methoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 6-[[5-(2-methoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid Traditional Name: 6-[[5-(2-keto-2-methoxy-ethyl)-4-methyl-thiazol-2-yl]thio]nicotinic acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SC2=NC=C(C=C2)C(=O)O)CC(=O)OC

Isomeric SMILES

CC1=C(SC(=N1)SC2=NC=C(C=C2)C(=O)O)CC(=O)OC

InChI

InChI=1S/C13H12N2O4S2/c1-7-9(5-11(16)19-2)20-13(15-7)21-10-4-3-8(6-14-10)12(17)18/h3-4,6H,5H2,1-2H3,(H,17,18)