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

Systemtic Name: methyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(4-ethylphenyl)thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H17BrN2O3S MolecularWeight: 445.32958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2O3S/c1-3-12-4-6-13(7-5-12)16-11-27-19(17(16)20(25)26-2)23-18(24)14-8-15(21)10-22-9-14/h4-11H,3H2,1-2H3,(H,23,24)