(4-ethanoylphenyl) 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: (4-ethanoylphenyl) 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: (4-acetylphenyl) 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid (4-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid (4-acetylphenyl) ester Formula: C19H16N2O3S2 MolecularWeight: 384.47194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CS2)SC)C(=O)OC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C19H16N2O3S2/c1-11-16(18(25-3)21-17(20-11)15-5-4-10-26-15)19(23)24-14-8-6-13(7-9-14)12(2)22/h4-10H,1-3H3