1,3-benzodioxol-5-yl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate

Systemtic Name: 1,3-benzodioxol-5-yl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: 1,3-benzodioxol-5-yl 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid 1,3-benzodioxol-5-yl ester IUPAC Name: 1,3-benzodioxol-5-yl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid 1,3-benzodioxol-5-yl ester Formula: C21H16O5S MolecularWeight: 380.41374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OC4=CC5=C(C=C4)OCO5

Isomeric SMILES

COC1=CC2=C(C=C1)C3=C(CC2)C=C(S3)C(=O)OC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H16O5S/c1-23-14-4-6-16-12(8-14)2-3-13-9-19(27-20(13)16)21(22)26-15-5-7-17-18(10-15)25-11-24-17/h4-10H,2-3,11H2,1H3