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

Systemtic Name: methyl 2-[(5-bromanylpyridin-3-yl)carbonylamino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-(4-ethoxyphenyl)-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-4-(4-ethoxyphenyl)-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-bromopyridine-3-carbonyl)amino]-4-(4-ethoxyphenyl)-5-methylthiophene-3-carboxylate Traditional Name: 2-[(5-bromonicotinoyl)amino]-5-methyl-4-p-phenetyl-thiophene-3-carboxylic acid methyl ester Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CN=C3)Br)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(SC(=C2C(=O)OC)NC(=O)C3=CC(=CN=C3)Br)C

InChI

InChI=1S/C21H19BrN2O4S/c1-4-28-16-7-5-13(6-8-16)17-12(2)29-20(18(17)21(26)27-3)24-19(25)14-9-15(22)11-23-10-14/h5-11H,4H2,1-3H3,(H,24,25)