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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(N=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O)C

Isomeric SMILES

CCOC(=O)CC1=C(N=C(S1)SC2=NC3=CC=CC=C3C(=C2)C(=O)O)C

InChI

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