(3-fluoranyl-4-methoxy-phenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: (3-fluoranyl-4-methoxy-phenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (3-fluoro-4-methoxy-phenyl)methyl 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (3-fluoro-4-methoxyphenyl)methyl ester IUPAC Name: (3-fluoro-4-methoxyphenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (3-fluoro-4-methoxy-benzyl) ester Formula: C22H19FO4S MolecularWeight: 398.447263

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC4=CC(=C(C=C4)OC)F

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OCC4=CC(=C(C=C4)OC)F

InChI

InChI=1S/C22H19FO4S/c1-25-16-6-7-17-14(10-16)4-5-15-11-20(28-21(15)17)22(24)27-12-13-3-8-19(26-2)18(23)9-13/h3,6-11H,4-5,12H2,1-2H3