ethyl (6S)-2-acetamido-6-bromanyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl (6S)-2-acetamido-6-bromanyl-7-oxidanylidene-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-2-acetamido-6-bromo-7-oxo-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: (6S)-2-acetamido-6-bromo-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-2-acetamido-6-bromo-7-oxo-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: (6S)-2-acetamido-6-bromo-7-keto-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C13H14BrNO4S MolecularWeight: 360.22356

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2=O)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CC[C@@H](C2=O)Br)NC(=O)C

InChI

InChI=1S/C13H14BrNO4S/c1-3-19-13(18)9-7-4-5-8(14)10(17)11(7)20-12(9)15-6(2)16/h8H,3-5H2,1-2H3,(H,15,16)/t8-/m0/s1