ethyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-(2,4-dimethylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)amino]-4-(2,4-dimethylphenyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H19BrN2O3S MolecularWeight: 459.35616

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=C(C=C(C=C2)C)C)NC(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C21H19BrN2O3S/c1-4-27-21(26)18-17(16-6-5-12(2)7-13(16)3)11-28-20(18)24-19(25)14-8-15(22)10-23-9-14/h5-11H,4H2,1-3H3,(H,24,25)