[2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate

Systemtic Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[(3-ethoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-ethoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[(3-carbethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H17BrN2O5S MolecularWeight: 441.29628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C17H17BrN2O5S/c1-4-24-17(23)14-9(2)10(3)26-15(14)20-13(21)8-25-16(22)11-5-12(18)7-19-6-11/h5-7H,4,8H2,1-3H3,(H,20,21)