1,3-benzothiazol-2-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate CAS Name: 2-(3,4,5-trimethoxyphenyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate Traditional Name: 2-(3,4,5-trimethoxyphenyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C27H22N2O5S MolecularWeight: 486.53898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=CC=CC=C5S4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC3=CC=CC=C3C(=C2)C(=O)OCC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C27H22N2O5S/c1-31-22-12-16(13-23(32-2)26(22)33-3)21-14-18(17-8-4-5-9-19(17)28-21)27(30)34-15-25-29-20-10-6-7-11-24(20)35-25/h4-14H,15H2,1-3H3