2,3-dihydro-1H-inden-2-yl 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate

Systemtic Name: 2,3-dihydro-1H-inden-2-yl 6,6-dimethyl-3-methylsulfonyl-4-oxidanylidene-5,7-dihydro-2-benzothiophene-1-carboxylate Openeye Name: indan-2-yl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate CAS Name: 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylic acid 2,3-dihydro-1H-inden-2-yl ester IUPAC Name: 2,3-dihydro-1H-inden-2-yl 6,6-dimethyl-3-methylsulfonyl-4-oxo-5,7-dihydro-2-benzothiophene-1-carboxylate Traditional Name: 4-keto-3-mesyl-6,6-dimethyl-5,7-dihydroisobenzothiophene-1-carboxylic acid indan-2-yl ester Formula: C21H22O5S2 MolecularWeight: 418.52638

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)OC3CC4=CC=CC=C4C3)C

Isomeric SMILES

CC1(CC2=C(SC(=C2C(=O)C1)S(=O)(=O)C)C(=O)OC3CC4=CC=CC=C4C3)C

InChI

InChI=1S/C21H22O5S2/c1-21(2)10-15-17(16(22)11-21)20(28(3,24)25)27-18(15)19(23)26-14-8-12-6-4-5-7-13(12)9-14/h4-7,14H,8-11H2,1-3H3