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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C(=C1)C(=O)O)SC2=NC(=C(S2)CC(=O)O)C

Isomeric SMILES

CC1=CN=C(C(=C1)C(=O)O)SC2=NC(=C(S2)CC(=O)O)C

InChI

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