phenacyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: phenacyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: phenacyl 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid phenacyl ester Formula: C22H18O4S MolecularWeight: 378.44092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18O4S/c1-25-17-9-10-18-15(11-17)7-8-16-12-20(27-21(16)18)22(24)26-13-19(23)14-5-3-2-4-6-14/h2-6,9-12H,7-8,13H2,1H3