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

Systemtic Name: ethyl (6S)-6-bromanyl-7-oxidanylidene-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Openeye Name: ethyl (6S)-6-bromo-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-benzothiophene-3-carboxylate CAS Name: (6S)-6-bromo-7-oxo-2-(1-oxopropylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-6-bromo-7-oxo-2-(propanoylamino)-5,6-dihydro-4H-1-benzothiophene-3-carboxylate Traditional Name: (6S)-6-bromo-7-keto-2-propionamido-5,6-dihydro-4H-benzothiophene-3-carboxylic acid ethyl ester Formula: C14H16BrNO4S MolecularWeight: 374.25014

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(C2=C(S1)C(=O)C(CC2)Br)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(C2=C(S1)C(=O)[C@H](CC2)Br)C(=O)OCC

InChI

InChI=1S/C14H16BrNO4S/c1-3-9(17)16-13-10(14(19)20-4-2)7-5-6-8(15)11(18)12(7)21-13/h8H,3-6H2,1-2H3,(H,16,17)/t8-/m0/s1