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

Systemtic Name: ethyl 2-[[5-chloranyl-2-[(2-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C23H22ClN3O4S2 MolecularWeight: 504.02148

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22ClN3O4S2/c1-5-31-22(30)17-13(3)19(14(4)28)33-21(17)27-20(29)18-16(24)10-25-23(26-18)32-11-15-9-7-6-8-12(15)2/h6-10H,5,11H2,1-4H3,(H,27,29)