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

Systemtic Name: ethyl 2-[(5-chloranyl-2-prop-2-enylsulfanyl-pyrimidin-4-yl)carbonylamino]-4-(4-methylphenyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[(2-allylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-(prop-2-enylthio)-4-pyrimidinyl]-oxomethyl]amino]-4-(4-methylphenyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-chloro-2-prop-2-enylsulfanylpyrimidine-4-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(allylthio)-5-chloro-pyrimidine-4-carbonyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H20ClN3O3S2 MolecularWeight: 473.9955

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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=C

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClN3O3S2/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/h4,6-9,11-12H,1,5,10H2,2-3H3,(H,26,27)