[2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxidanylidene-ethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxo-ethyl] 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid [2-(1,3-benzothiazol-2-ylamino)-2-keto-ethyl] ester Formula: C26H19N3O3S MolecularWeight: 453.51236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC(=O)NC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H19N3O3S/c1-16-10-12-17(13-11-16)22-14-19(18-6-2-3-7-20(18)27-22)25(31)32-15-24(30)29-26-28-21-8-4-5-9-23(21)33-26/h2-14H,15H2,1H3,(H,28,29,30)