1,3-benzothiazol-2-ylmethyl 2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(p-tolyl)quinoline-4-carboxylate CAS Name: 2-(4-methylphenyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 2-(p-tolyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H18N2O2S MolecularWeight: 410.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C25H18N2O2S/c1-16-10-12-17(13-11-16)22-14-19(18-6-2-3-7-20(18)26-22)25(28)29-15-24-27-21-8-4-5-9-23(21)30-24/h2-14H,15H2,1H3