diethyl 5-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-[2-(5-bromanyl-1-benzofuran-3-yl)ethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-(5-bromo-3-benzofuranyl)-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[[2-(5-bromo-1-benzofuran-3-yl)acetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(5-bromobenzofuran-3-yl)acetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C21H20BrNO6S MolecularWeight: 494.3556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20BrNO6S/c1-4-27-20(25)17-11(3)18(21(26)28-5-2)30-19(17)23-16(24)8-12-10-29-15-7-6-13(22)9-14(12)15/h6-7,9-10H,4-5,8H2,1-3H3,(H,23,24)