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

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4-dimethoxyphenyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4-dimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4-dimethoxyphenyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C26H20N2O4S MolecularWeight: 456.513

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=CC=CC=C5S4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=CC=CC=C5S4)OC

InChI

InChI=1S/C26H20N2O4S/c1-30-22-12-11-16(13-23(22)31-2)21-14-18(17-7-3-4-8-19(17)27-21)26(29)32-15-25-28-20-9-5-6-10-24(20)33-25/h3-14H,15H2,1-2H3