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

Systemtic Name: [4-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-methyl-amino]phenyl] 2-methylquinoline-4-carboxylate Openeye Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] 2-methylquinoline-4-carboxylate CAS Name: 2-methyl-4-quinolinecarboxylic acid [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] ester IUPAC Name: [4-[(1,1-dioxo-1,2-benzothiazol-3-yl)-methylamino]phenyl] 2-methylquinoline-4-carboxylate Traditional Name: 2-methylcinchoninic acid [4-[(1,1-diketo-1,2-benzothiazol-3-yl)-methyl-amino]phenyl] ester Formula: C25H19N3O4S MolecularWeight: 457.50106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)N(C)C4=NS(=O)(=O)C5=CC=CC=C54

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)C(=O)OC3=CC=C(C=C3)N(C)C4=NS(=O)(=O)C5=CC=CC=C54

InChI

InChI=1S/C25H19N3O4S/c1-16-15-21(19-7-3-5-9-22(19)26-16)25(29)32-18-13-11-17(12-14-18)28(2)24-20-8-4-6-10-23(20)33(30,31)27-24/h3-15H,1-2H3