[3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-methylquinoline-4-carboxylate

Systemtic Name: [3-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]phenyl] 2-methylquinoline-4-carboxylate Openeye Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] ester IUPAC Name: [3-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]phenyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [3-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]phenyl] ester Formula: C24H17N3O4S MolecularWeight: 443.47448

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=CC(=C3)NC4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=CC(=C3)NC4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C24H17N3O4S/c1-15-13-20(18-9-2-4-11-21(18)25-15)24(28)31-17-8-6-7-16(14-17)26-23-19-10-3-5-12-22(19)32(29,30)27-23/h2-14H,1H3,(H,26,27)