dimethyl (2S)-2-(2-bromanyl-6-oxidanylidene-4H-thieno[2,3-c]pyrrol-5-yl)pentanedioate

Systemtic Name: dimethyl (2S)-2-(2-bromanyl-6-oxidanylidene-4H-thieno[2,3-c]pyrrol-5-yl)pentanedioate Openeye Name: dimethyl (2S)-2-(2-bromo-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pentanedioate CAS Name: (2S)-2-(2-bromo-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-(2-bromo-6-oxo-4H-thieno[2,3-c]pyrrol-5-yl)pentanedioate Traditional Name: (2S)-2-(2-bromo-6-keto-4H-thieno[2,3-c]pyrrol-5-yl)glutaric acid dimethyl ester Formula: C13H14BrNO5S MolecularWeight: 376.22296

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(C(=O)OC)N1CC2=C(C1=O)SC(=C2)Br

Isomeric SMILES

COC(=O)CC[C@@H](C(=O)OC)N1CC2=C(C1=O)SC(=C2)Br

InChI

InChI=1S/C13H14BrNO5S/c1-19-10(16)4-3-8(13(18)20-2)15-6-7-5-9(14)21-11(7)12(15)17/h5,8H,3-4,6H2,1-2H3/t8-/m0/s1