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

Systemtic Name: ethyl 2-[(5-chloranyl-2-ethylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-ethylsulfanyl-pyrimidine-4-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(ethylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-ethylsulfanylpyrimidine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(ethylthio)pyrimidine-4-carbonyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

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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)SCC

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3O3S2/c1-4-28-20(27)16-14(13-8-6-12(3)7-9-13)11-30-19(16)25-18(26)17-15(22)10-23-21(24-17)29-5-2/h6-11H,4-5H2,1-3H3,(H,25,26)