dimethyl 1-methyl-6,6-bis(oxidanylidene)thiepino[4,5-b]pyrrole-5,7-dicarboxylate

Systemtic Name: dimethyl 1-methyl-6,6-bis(oxidanylidene)thiepino[4,5-b]pyrrole-5,7-dicarboxylate Openeye Name: dimethyl 1-methyl-6,6-dioxo-thiepino[4,5-b]pyrrole-5,7-dicarboxylate CAS Name: 1-methyl-6,6-dioxothiepino[4,5-b]pyrrole-5,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 1-methyl-6,6-dioxothiepino[4,5-b]pyrrole-5,7-dicarboxylate Traditional Name: 6,6-diketo-1-methyl-thiepino[4,5-b]pyrrole-5,7-dicarboxylic acid dimethyl ester Formula: C13H13NO6S MolecularWeight: 311.31042

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC2=C1C=C(S(=O)(=O)C(=C2)C(=O)OC)C(=O)OC

Isomeric SMILES

CN1C=CC2=C1C=C(S(=O)(=O)C(=C2)C(=O)OC)C(=O)OC

InChI

InChI=1S/C13H13NO6S/c1-14-5-4-8-6-10(12(15)19-2)21(17,18)11(7-9(8)14)13(16)20-3/h4-7H,1-3H3