ethyl (4S)-1-ethanoyl-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-1-ethanoyl-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-1-acetyl-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate CAS Name: (4S)-1-acetyl-6-methyl-2-(methylthio)-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-1-acetyl-6-methyl-2-methylsulfanyl-4-phenyl-4H-pyrimidine-5-carboxylate Traditional Name: (4S)-1-acetyl-6-methyl-2-(methylthio)-4-phenyl-4H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=NC1C2=CC=CC=C2)SC)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=N[C@H]1C2=CC=CC=C2)SC)C(=O)C)C

InChI

InChI=1S/C17H20N2O3S/c1-5-22-16(21)14-11(2)19(12(3)20)17(23-4)18-15(14)13-9-7-6-8-10-13/h6-10,15H,5H2,1-4H3/t15-/m0/s1