methyl 2-[[5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[5-chloranyl-2-[(3-methylphenyl)methylsulfonyl]pyrimidin-4-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-acetyl-2-[[5-chloro-2-(m-tolylmethylsulfonyl)pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]-4-pyrimidinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[[5-chloro-2-[(3-methylphenyl)methylsulfonyl]pyrimidine-4-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[5-chloro-2-(3-methylbenzyl)sulfonyl-pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20ClN3O6S2 MolecularWeight: 521.9937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OC)Cl

Isomeric SMILES

CC1=CC(=CC=C1)CS(=O)(=O)C2=NC=C(C(=N2)C(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OC)Cl

InChI

InChI=1S/C22H20ClN3O6S2/c1-11-6-5-7-14(8-11)10-34(30,31)22-24-9-15(23)17(25-22)19(28)26-20-16(21(29)32-4)12(2)18(33-20)13(3)27/h5-9H,10H2,1-4H3,(H,26,28)