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

Systemtic Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl] 5-bromanylpyridine-3-carboxylate Openeye Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thienyl]amino]-2-oxo-ethyl] 5-bromopyridine-3-carboxylate CAS Name: 5-bromo-3-pyridinecarboxylic acid [2-[[4-(2-chlorophenyl)-3-ethoxycarbonyl-2-thiophenyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[4-(2-chlorophenyl)-3-ethoxycarbonylthiophen-2-yl]amino]-2-oxoethyl] 5-bromopyridine-3-carboxylate Traditional Name: 5-bromonicotinic acid [2-[[3-carbethoxy-4-(2-chlorophenyl)-2-thienyl]amino]-2-keto-ethyl] ester Formula: C21H16BrClN2O5S MolecularWeight: 523.78414

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2Cl)NC(=O)COC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H16BrClN2O5S/c1-2-29-21(28)18-15(14-5-3-4-6-16(14)23)11-31-19(18)25-17(26)10-30-20(27)12-7-13(22)9-24-8-12/h3-9,11H,2,10H2,1H3,(H,25,26)