diethyl 3-oxidanyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylate

Systemtic Name: diethyl 3-oxidanyl-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylate Openeye Name: diethyl 3-hydroxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylate CAS Name: 3-hydroxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-hydroxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepine-6,8-dicarboxylate Traditional Name: 3-hydroxy-3,4-dihydro-2H-thieno[3,4-b][1,4]dioxepin-6,8-dicarboxylic acid diethyl ester Formula: C13H16O7S MolecularWeight: 316.32694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C(=C(S1)C(=O)OCC)OCC(CO2)O

Isomeric SMILES

CCOC(=O)C1=C2C(=C(S1)C(=O)OCC)OCC(CO2)O

InChI

InChI=1S/C13H16O7S/c1-3-17-12(15)10-8-9(20-6-7(14)5-19-8)11(21-10)13(16)18-4-2/h7,14H,3-6H2,1-2H3