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

Systemtic Name: dimethyl 5-(phenylsulfonyl)-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylate Openeye Name: dimethyl 5-(benzenesulfonyl)-5,6-dihydro-4H-benzothiophene-7,7-dicarboxylate CAS Name: 5-(benzenesulfonyl)-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-(benzenesulfonyl)-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylate Traditional Name: 5-besyl-5,6-dihydro-4H-benzothiophene-7,7-dicarboxylic acid dimethyl ester Formula: C18H18O6S2 MolecularWeight: 394.46192

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(CC2=C1SC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(CC2=C1SC=C2)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18O6S2/c1-23-16(19)18(17(20)24-2)11-14(10-12-8-9-25-15(12)18)26(21,22)13-6-4-3-5-7-13/h3-9,14H,10-11H2,1-2H3