ethyl 2-acetamido-6-bromanyl-7-(2-ethoxy-2-oxidanylidene-ethoxy)-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-(2-ethoxy-2-oxidanylidene-ethoxy)-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-6-bromo-7-(2-ethoxy-2-oxo-ethoxy)benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-(2-ethoxy-2-oxoethoxy)-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-(2-ethoxy-2-oxoethoxy)-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-6-bromo-7-(2-ethoxy-2-keto-ethoxy)benzothiophene-3-carboxylic acid ethyl ester Formula: C17H18BrNO6S MolecularWeight: 444.29692

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br

Isomeric SMILES

CCOC(=O)COC1=C(C=CC2=C1SC(=C2C(=O)OCC)NC(=O)C)Br

InChI

InChI=1S/C17H18BrNO6S/c1-4-23-12(21)8-25-14-11(18)7-6-10-13(17(22)24-5-2)16(19-9(3)20)26-15(10)14/h6-7H,4-5,8H2,1-3H3,(H,19,20)