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

Systemtic Name: 2-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid Openeye Name: 2-[[5-(2-ethoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid CAS Name: 2-[[[5-(2-ethoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]methyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-3-carboxylic acid Traditional Name: 2-[[[5-(2-ethoxy-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]methyl]nicotinic acid Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SCC2=C(C=CC=N2)C(=O)O)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SCC2=C(C=CC=N2)C(=O)O)C

InChI

InChI=1S/C15H16N2O4S2/c1-3-21-13(18)7-12-9(2)17-15(23-12)22-8-11-10(14(19)20)5-4-6-16-11/h4-6H,3,7-8H2,1-2H3,(H,19,20)