methyl 4-ethoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate

Systemtic Name: methyl 4-ethoxy-1,1-bis(oxidanylidene)-3-(phenylsulfonyl)-2,3-dihydro-1-benzothiophene-5-carboxylate Openeye Name: methyl 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydrobenzothiophene-5-carboxylate CAS Name: 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 3-(benzenesulfonyl)-4-ethoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-5-carboxylate Traditional Name: 3-besyl-4-ethoxy-1,1-diketo-2,3-dihydrobenzothiophene-5-carboxylic acid methyl ester Formula: C18H18O7S2 MolecularWeight: 410.46132

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCOC1=C(C=CC2=C1C(CS2(=O)=O)S(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18O7S2/c1-3-25-17-13(18(19)24-2)9-10-14-16(17)15(11-26(14,20)21)27(22,23)12-7-5-4-6-8-12/h4-10,15H,3,11H2,1-2H3