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

Systemtic Name: 4-[[5-(2-ethoxy-2-oxidanylidene-ethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]quinoline-2-carboxylic acid Openeye Name: 4-[5-(2-ethoxy-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylquinoline-2-carboxylic acid CAS Name: 4-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-2-thiazolyl]thio]-2-quinolinecarboxylic acid IUPAC Name: 4-[[5-(2-ethoxy-2-oxoethyl)-4-methyl-1,3-thiazol-2-yl]sulfanyl]quinoline-2-carboxylic acid Traditional Name: 4-[[5-(2-ethoxy-2-keto-ethyl)-4-methyl-thiazol-2-yl]thio]quinaldic acid Formula: C18H16N2O4S2 MolecularWeight: 388.46064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SC2=CC(=NC3=CC=CC=C32)C(=O)O)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SC2=CC(=NC3=CC=CC=C32)C(=O)O)C

InChI

InChI=1S/C18H16N2O4S2/c1-3-24-16(21)9-14-10(2)19-18(25-14)26-15-8-13(17(22)23)20-12-7-5-4-6-11(12)15/h4-8H,3,9H2,1-2H3,(H,22,23)