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

Systemtic Name: (3-cyanophenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Openeye Name: (3-cyanophenyl)methyl 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylate CAS Name: 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 7-methoxy-4,5-dihydrobenzo[g][1]benzothiole-2-carboxylate Traditional Name: 7-methoxy-4,5-dihydrobenzo[g]benzothiophene-2-carboxylic acid (3-cyanobenzyl) ester Formula: C22H17NO3S MolecularWeight: 375.44028

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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=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H17NO3S/c1-25-18-7-8-19-16(10-18)5-6-17-11-20(27-21(17)19)22(24)26-13-15-4-2-3-14(9-15)12-23/h2-4,7-11H,5-6,13H2,1H3