2-[4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)ethanoylamino]phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-[[2-(4,5-dihydrothiazol-2-ylsulfanyl)acetyl]amino]phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-[[2-(4,5-dihydrothiazol-2-ylthio)-1-oxoethyl]amino]phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-[[2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)acetyl]amino]phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-[[2-(2-thiazolin-2-ylthio)acetyl]amino]phenyl]cinchoninic acid Formula: C21H17N3O3S2 MolecularWeight: 423.50798

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1CSC(=N1)SCC(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C21H17N3O3S2/c25-19(12-29-21-22-9-10-28-21)23-14-7-5-13(6-8-14)18-11-16(20(26)27)15-3-1-2-4-17(15)24-18/h1-8,11H,9-10,12H2,(H,23,25)(H,26,27)