1,3-benzothiazol-2-ylmethyl 2-phenylquinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-phenylquinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-phenylquinoline-4-carboxylate CAS Name: 2-phenyl-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-phenylquinoline-4-carboxylate Traditional Name: 2-phenylcinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C24H16N2O2S MolecularWeight: 396.46104

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H16N2O2S/c27-24(28-15-23-26-20-12-6-7-13-22(20)29-23)18-14-21(16-8-2-1-3-9-16)25-19-11-5-4-10-17(18)19/h1-14H,15H2