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

Systemtic Name: (4-methylsulfanylphenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (4-methylsulfanylphenyl)methyl 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid [4-(methylthio)phenyl]methyl ester IUPAC Name: (4-methylsulfanylphenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid [4-(methylthio)benzyl] ester Formula: C22H20O3S2 MolecularWeight: 396.5224

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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)SC

Isomeric SMILES

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

InChI

InChI=1S/C22H20O3S2/c1-24-17-7-10-19-15(11-17)5-6-16-12-20(27-21(16)19)22(23)25-13-14-3-8-18(26-2)9-4-14/h3-4,7-12H,5-6,13H2,1-2H3