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

Systemtic Name: ethyl 2-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-chloro-2-(o-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-[(2-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-[(2-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]-4,5-dimethyl-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(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3C

InChI

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