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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(4-phenylphenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(4-phenylphenyl)quinoline-4-carboxylate CAS Name: 2-(4-phenylphenyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(4-phenylphenyl)quinoline-4-carboxylate Traditional Name: 2-(4-phenylphenyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C30H20N2O2S MolecularWeight: 472.557

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC5=NC6=CC=CC=C6S5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C30H20N2O2S/c33-30(34-19-29-32-26-12-6-7-13-28(26)35-29)24-18-27(31-25-11-5-4-10-23(24)25)22-16-14-21(15-17-22)20-8-2-1-3-9-20/h1-18H,19H2