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

Systemtic Name: 4-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid Openeye Name: 4-[5-(2-ethoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylpyridine-3-carboxylic acid CAS Name: 4-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 4-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]pyridine-3-carboxylic acid Traditional Name: 4-[[5-(2-ethoxy-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]nicotinic acid Formula: C14H14N2O4S2 MolecularWeight: 338.40196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SC2=C(C=NC=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SC2=C(C=NC=C2)C(=O)O)C

InChI

InChI=1S/C14H14N2O4S2/c1-3-20-12(17)6-11-8(2)16-14(22-11)21-10-4-5-15-7-9(10)13(18)19/h4-5,7H,3,6H2,1-2H3,(H,18,19)