2-methylsulfanylethyl (4R)-6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4R)-6-methyl-2-oxidanylidene-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4R)-6-methyl-2-oxo-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-(3-phenoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=CC=C2)OC3=CC=CC=C3)C(=O)OCCSC

InChI

InChI=1S/C21H22N2O4S/c1-14-18(20(24)26-11-12-28-2)19(23-21(25)22-14)15-7-6-10-17(13-15)27-16-8-4-3-5-9-16/h3-10,13,19H,11-12H2,1-2H3,(H2,22,23,25)/t19-/m1/s1