ethyl 2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-(5-bromo-3-benzofuranyl)-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C19H18BrNO4S MolecularWeight: 436.31952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=COC3=C2C=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)CC2=COC3=C2C=C(C=C3)Br

InChI

InChI=1S/C19H18BrNO4S/c1-4-24-19(23)17-10(2)11(3)26-18(17)21-16(22)7-12-9-25-15-6-5-13(20)8-14(12)15/h5-6,8-9H,4,7H2,1-3H3,(H,21,22)