ethyl 6-bromanyl-7-oxidanyl-2-(propanoylamino)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-7-oxidanyl-2-(propanoylamino)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-bromo-7-hydroxy-2-(propanoylamino)benzothiophene-3-carboxylate CAS Name: 6-bromo-7-hydroxy-2-(1-oxopropylamino)-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-7-hydroxy-2-(propanoylamino)-1-benzothiophene-3-carboxylate Traditional Name: 6-bromo-7-hydroxy-2-propionamido-benzothiophene-3-carboxylic acid ethyl ester Formula: C14H14BrNO4S MolecularWeight: 372.23426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14BrNO4S/c1-3-9(17)16-13-10(14(19)20-4-2)7-5-6-8(15)11(18)12(7)21-13/h5-6,18H,3-4H2,1-2H3,(H,16,17)