diethyl 5-azanyl-3-[(5-bromanylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 5-azanyl-3-[(5-bromanylpyridin-3-yl)carbonyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[(5-bromopyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(5-bromo-3-pyridinyl)-oxomethoxy]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(5-bromopyridine-3-carbonyl)oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[(5-bromonicotinoyl)oxymethyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H17BrN2O6S MolecularWeight: 457.29568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC(=CN=C2)Br)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1COC(=O)C2=CC(=CN=C2)Br)C(=O)OCC)N

InChI

InChI=1S/C17H17BrN2O6S/c1-3-24-16(22)12-11(13(27-14(12)19)17(23)25-4-2)8-26-15(21)9-5-10(18)7-20-6-9/h5-7H,3-4,8,19H2,1-2H3