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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(SC2=C1CCC(C2=O)Br)C(=O)OCC

Isomeric SMILES

CCC(=O)NC1=C(SC2=C1CCC(C2=O)Br)C(=O)OCC

InChI

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