ethyl 2-[(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-bromanyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-bromo-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[5-bromo-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-bromo-2-methylsulfanylpyrimidine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[5-bromo-2-(methylthio)pyrimidine-4-carbonyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C20H18BrN3O3S2 MolecularWeight: 492.40922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=NC(=NC=C3Br)SC

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=NC(=NC=C3Br)SC

InChI

InChI=1S/C20H18BrN3O3S2/c1-4-27-19(26)15-13(12-7-5-11(2)6-8-12)10-29-18(15)24-17(25)16-14(21)9-22-20(23-16)28-3/h5-10H,4H2,1-3H3,(H,24,25)