dimethyl 7-(phenylmethyl)-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylate

Systemtic Name: dimethyl 7-(phenylmethyl)-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylate Openeye Name: dimethyl 7-benzyl-6,7-dihydro-4H-benzothiophene-5,5-dicarboxylate CAS Name: 7-(phenylmethyl)-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 7-benzyl-6,7-dihydro-4H-1-benzothiophene-5,5-dicarboxylate Traditional Name: 7-benzyl-6,7-dihydro-4H-benzothiophene-5,5-dicarboxylic acid dimethyl ester Formula: C19H20O4S MolecularWeight: 344.4247

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(C2=C(C1)C=CS2)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(C2=C(C1)C=CS2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C19H20O4S/c1-22-17(20)19(18(21)23-2)11-14-8-9-24-16(14)15(12-19)10-13-6-4-3-5-7-13/h3-9,15H,10-12H2,1-2H3