1,3-benzothiazol-2-ylmethyl 3-methyl-2-phenyl-quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-phenyl-quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-phenyl-quinoline-4-carboxylate CAS Name: 3-methyl-2-phenyl-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-methyl-2-phenylquinoline-4-carboxylate Traditional Name: 3-methyl-2-phenyl-cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C25H18N2O2S MolecularWeight: 410.48762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

CC1=C(C2=CC=CC=C2N=C1C3=CC=CC=C3)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

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