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

Systemtic Name: methyl 2-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-acetyl-2-[[5-chloro-2-(o-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[[5-chloro-2-[(2-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-acetyl-2-[[5-chloro-2-[(2-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-2-[[5-chloro-2-[(2-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C22H20ClN3O4S2 MolecularWeight: 489.9949

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OC)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NC=C(C(=N2)C(=O)NC3=C(C(=C(S3)C(=O)C)C)C(=O)OC)Cl

InChI

InChI=1S/C22H20ClN3O4S2/c1-11-7-5-6-8-14(11)10-31-22-24-9-15(23)17(25-22)19(28)26-20-16(21(29)30-4)12(2)18(32-20)13(3)27/h5-9H,10H2,1-4H3,(H,26,28)