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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CCC1=CC=C(C=C1)C2=CSC(=C2C(=O)OCC)NC(=O)C3=CC(=CN=C3)Br

InChI

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