dimethyl 5-cyano-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylate

Systemtic Name: dimethyl 5-cyano-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylate Openeye Name: dimethyl 5-cyano-5,6-dihydro-4H-benzothiophene-7,7-dicarboxylate CAS Name: 5-cyano-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-cyano-5,6-dihydro-4H-1-benzothiophene-7,7-dicarboxylate Traditional Name: 5-cyano-5,6-dihydro-4H-benzothiophene-7,7-dicarboxylic acid dimethyl ester Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(CC(CC2=C1SC=C2)C#N)C(=O)OC

Isomeric SMILES

COC(=O)C1(CC(CC2=C1SC=C2)C#N)C(=O)OC

InChI

InChI=1S/C13H13NO4S/c1-17-11(15)13(12(16)18-2)6-8(7-14)5-9-3-4-19-10(9)13/h3-4,8H,5-6H2,1-2H3