ethyl 3-acetamido-6-bromanyl-7-oxidanyl-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-acetamido-6-bromanyl-7-oxidanyl-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-acetamido-6-bromo-7-hydroxy-benzothiophene-2-carboxylate CAS Name: 3-acetamido-6-bromo-7-hydroxy-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-acetamido-6-bromo-7-hydroxy-1-benzothiophene-2-carboxylate Traditional Name: 3-acetamido-6-bromo-7-hydroxy-benzothiophene-2-carboxylic acid ethyl ester Formula: C13H12BrNO4S MolecularWeight: 358.20768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)Br)O)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)C(=C(C=C2)Br)O)NC(=O)C

InChI

InChI=1S/C13H12BrNO4S/c1-3-19-13(18)12-9(15-6(2)16)7-4-5-8(14)10(17)11(7)20-12/h4-5,17H,3H2,1-2H3,(H,15,16)