ethyl 2-[(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[(5-chloranyl-2-propan-2-ylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-isopropylsulfanyl-pyrimidine-4-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(propan-2-ylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-propan-2-ylsulfanylpyrimidine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(isopropylthio)pyrimidine-4-carbonyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H22ClN3O3S2 MolecularWeight: 476.01138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=NC(=NC=C3Cl)SC(C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)C)NC(=O)C3=NC(=NC=C3Cl)SC(C)C

InChI

InChI=1S/C22H22ClN3O3S2/c1-5-29-21(28)17-15(14-8-6-13(4)7-9-14)11-30-20(17)26-19(27)18-16(23)10-24-22(25-18)31-12(2)3/h6-12H,5H2,1-4H3,(H,26,27)