methyl 1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-7-carboxylate

Systemtic Name: methyl 1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-7-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydrobenzothiophene-7-carboxylate CAS Name: 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-1,1-dioxo-2,3-dihydro-1-benzothiophene-7-carboxylate Traditional Name: 3-besyl-1,1-diketo-2,3-dihydrobenzothiophene-7-carboxylic acid methyl ester Formula: C16H14O6S2 MolecularWeight: 366.40876

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H14O6S2/c1-22-16(17)13-9-5-8-12-14(10-23(18,19)15(12)13)24(20,21)11-6-3-2-4-7-11/h2-9,14H,10H2,1H3