phenacyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: phenacyl 4-methyl-6-methylsulfanyl-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: phenacyl 4-methyl-6-methylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-methyl-6-(methylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 4-methyl-6-methylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-methyl-6-(methylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid phenacyl 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)OCC(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O3S2/c1-12-16(18(25-2)21-17(20-12)15-9-6-10-26-15)19(23)24-11-14(22)13-7-4-3-5-8-13/h3-10H,11H2,1-2H3