dimethyl 5-[2-(5-bromanylpyridin-3-yl)carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-[2-(5-bromanylpyridin-3-yl)carbonyloxyethanoylamino]-3-methyl-thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-[[2-(5-bromopyridine-3-carbonyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylate CAS Name: 5-[[2-[(5-bromo-3-pyridinyl)-oxomethoxy]-1-oxoethyl]amino]-3-methylthiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(5-bromopyridine-3-carbonyl)oxyacetyl]amino]-3-methylthiophene-2,4-dicarboxylate Traditional Name: 5-[[2-(5-bromonicotinoyl)oxyacetyl]amino]-3-methyl-thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H15BrN2O7S MolecularWeight: 471.2792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC(=CN=C2)Br)C(=O)OC

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CC(=CN=C2)Br)C(=O)OC

InChI

InChI=1S/C17H15BrN2O7S/c1-8-12(16(23)25-2)14(28-13(8)17(24)26-3)20-11(21)7-27-15(22)9-4-10(18)6-19-5-9/h4-6H,7H2,1-3H3,(H,20,21)