1,3-benzothiazol-2-ylmethyl 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 2-(6-methoxy-2-naphthyl)quinoline-4-carboxylate CAS Name: 2-(6-methoxy-2-naphthalenyl)-4-quinolinecarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 2-(6-methoxynaphthalen-2-yl)quinoline-4-carboxylate Traditional Name: 2-(6-methoxy-2-naphthyl)cinchoninic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C29H20N2O3S MolecularWeight: 476.5457

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC5=NC6=CC=CC=C6S5

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)OCC5=NC6=CC=CC=C6S5

InChI

InChI=1S/C29H20N2O3S/c1-33-21-13-12-18-14-20(11-10-19(18)15-21)26-16-23(22-6-2-3-7-24(22)30-26)29(32)34-17-28-31-25-8-4-5-9-27(25)35-28/h2-16H,17H2,1H3