(5-ethanoyl-2-methoxy-phenyl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C21H20N2O4S2/c1-12-18(20(28-4)23-19(22-12)17-6-5-9-29-17)21(25)27-11-15-10-14(13(2)24)7-8-16(15)26-3/h5-10H,11H2,1-4H3