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

Systemtic Name: ethyl 6,6-bis(bromanyl)-7-oxidanylidene-2-(propanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6,6-dibromo-7-oxo-2-(propanoylamino)-4,5-dihydrobenzothiophene-3-carboxylate CAS Name: 6,6-dibromo-7-oxo-2-(1-oxopropylamino)-4,5-dihydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6,6-dibromo-7-oxo-2-(propanoylamino)-4,5-dihydro-1-benzothiophene-3-carboxylate Traditional Name: 6,6-dibromo-7-keto-2-propionamido-4,5-dihydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C14H15Br2NO4S MolecularWeight: 453.1462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15Br2NO4S/c1-3-8(18)17-12-9(13(20)21-4-2)7-5-6-14(15,16)11(19)10(7)22-12/h3-6H2,1-2H3,(H,17,18)