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

Systemtic Name: diethyl 5-[(5-bromanyl-3-methyl-1-benzofuran-2-yl)carbonylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-[(5-bromo-3-methyl-benzofuran-2-carbonyl)amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[(5-bromo-3-methyl-2-benzofuranyl)-oxomethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(5-bromo-3-methyl-1-benzofuran-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[(5-bromo-3-methyl-benzofuran-2-carbonyl)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)C2=C(C3=C(O2)C=CC(=C3)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)C2=C(C3=C(O2)C=CC(=C3)Br)C

InChI

InChI=1S/C21H20BrNO6S/c1-5-27-20(25)15-11(4)17(21(26)28-6-2)30-19(15)23-18(24)16-10(3)13-9-12(22)7-8-14(13)29-16/h7-9H,5-6H2,1-4H3,(H,23,24)