diethyl 2-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]propanedioate

Systemtic Name: diethyl 2-[1,1-bis(oxidanylidene)-2,3-dihydro-1-benzothiophen-3-yl]propanedioate Openeye Name: diethyl 2-(1,1-dioxo-2,3-dihydrobenzothiophen-3-yl)propanedioate CAS Name: 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl)propanedioate Traditional Name: 2-(1,1-diketo-2,3-dihydrobenzothiophen-3-yl)malonic acid diethyl ester Formula: C15H18O6S MolecularWeight: 326.36482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C1CS(=O)(=O)C2=CC=CC=C12)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C1CS(=O)(=O)C2=CC=CC=C12)C(=O)OCC

InChI

InChI=1S/C15H18O6S/c1-3-20-14(16)13(15(17)21-4-2)11-9-22(18,19)12-8-6-5-7-10(11)12/h5-8,11,13H,3-4,9H2,1-2H3