[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-ethanoyl-phenyl] 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: [2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)-4-ethanoyl-phenyl] 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [4-acetyl-2-(4,5-dihydrothiazol-2-ylsulfanylmethyl)phenyl] 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic acid [4-acetyl-2-[(4,5-dihydrothiazol-2-ylthio)methyl]phenyl] ester IUPAC Name: [4-acetyl-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanylmethyl)phenyl] 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [4-acetyl-2-[(2-thiazolin-2-ylthio)methyl]phenyl] ester Formula: C22H18N2O4S2 MolecularWeight: 438.51932

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=O)NC3=CC=CC=C32)CSC4=NCCS4

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC(=O)C2=CC(=O)NC3=CC=CC=C32)CSC4=NCCS4

InChI

InChI=1S/C22H18N2O4S2/c1-13(25)14-6-7-19(15(10-14)12-30-22-23-8-9-29-22)28-21(27)17-11-20(26)24-18-5-3-2-4-16(17)18/h2-7,10-11H,8-9,12H2,1H3,(H,24,26)