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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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