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

Systemtic Name: ethyl 2-[(5-chloranyl-2-propylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(5-chloro-2-propylsulfanyl-pyrimidine-4-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(propylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-propylsulfanylpyrimidine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(propylthio)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:

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC)Cl

Isomeric SMILES

CCCSC1=NC=C(C(=N1)C(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)C)C(=O)OCC)Cl

InChI

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