ethyl (4S)-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: (4S)-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-chlorophenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-chlorophenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H17ClN2O2S MolecularWeight: 324.82568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=C(C=C2)Cl)SC)C

Isomeric SMILES

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

InChI

InChI=1S/C15H17ClN2O2S/c1-4-20-14(19)12-9(2)17-15(21-3)18-13(12)10-5-7-11(16)8-6-10/h5-8,13H,4H2,1-3H3,(H,17,18)/t13-/m0/s1