4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid

Systemtic Name: 4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid Openeye Name: 4-[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid CAS Name: 4-[[[5-(carboxymethyl)-4-methyl-2-thiazolyl]thio]methyl]-3-pyridinecarboxylic acid IUPAC Name: 4-[[5-(carboxymethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid Traditional Name: 4-[[[5-(carboxymethyl)-4-methyl-thiazol-2-yl]thio]methyl]nicotinic acid Formula: C13H12N2O4S2 MolecularWeight: 324.37538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)SCC2=C(C=NC=C2)C(=O)O)CC(=O)O

Isomeric SMILES

CC1=C(SC(=N1)SCC2=C(C=NC=C2)C(=O)O)CC(=O)O

InChI

InChI=1S/C13H12N2O4S2/c1-7-10(4-11(16)17)21-13(15-7)20-6-8-2-3-14-5-9(8)12(18)19/h2-3,5H,4,6H2,1H3,(H,16,17)(H,18,19)