[2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate

Systemtic Name: [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxidanylidene-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Openeye Name: [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxo-ethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-chlorophenyl)-4-quinolinecarboxylic acid [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzothiazol-2-ylmethylamino)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-chlorophenyl)cinchoninic acid [2-(1,3-benzothiazol-2-ylmethylamino)-2-keto-ethyl] ester Formula: C26H18ClN3O3S MolecularWeight: 487.95742

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NCC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)Cl)C(=O)OCC(=O)NCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C26H18ClN3O3S/c27-17-11-9-16(10-12-17)22-13-19(18-5-1-2-6-20(18)29-22)26(32)33-15-24(31)28-14-25-30-21-7-3-4-8-23(21)34-25/h1-13H,14-15H2,(H,28,31)