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

Systemtic Name: ethyl 2-[[5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-oxomethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carbonyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carbonyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H22ClN3O5S2 MolecularWeight: 508.01018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)C2=NC(=NC=C2Cl)S(=O)(=O)CC3=CC=CC(=C3)C

InChI

InChI=1S/C22H22ClN3O5S2/c1-5-31-21(28)17-13(3)14(4)32-20(17)26-19(27)18-16(23)10-24-22(25-18)33(29,30)11-15-8-6-7-12(2)9-15/h6-10H,5,11H2,1-4H3,(H,26,27)