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

Systemtic Name: 3-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-4-carboxylic acid Openeye Name: 3-[[5-(2-ethoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylmethyl]pyridine-4-carboxylic acid CAS Name: 3-[[[5-(2-ethoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]methyl]-4-pyridinecarboxylic acid IUPAC Name: 3-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanylmethyl]pyridine-4-carboxylic acid Traditional Name: 3-[[[5-(2-ethoxy-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]methyl]isonicotinic 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=CN=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SCC2=C(C=CN=C2)C(=O)O)C

InChI

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