ethyl (4S)-4-(4-methylsulfanylphenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-(4-methylsulfanylphenyl)-2-oxidanylidene-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-(4-methylsulfanylphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-[4-(methylthio)phenyl]-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-(4-methylsulfanylphenyl)-2-oxo-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-[4-(methylthio)phenyl]-6-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)SC)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC=C(C=C2)SC)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O3S/c1-3-25-19(23)16-17(13-7-5-4-6-8-13)21-20(24)22-18(16)14-9-11-15(26-2)12-10-14/h4-12,18H,3H2,1-2H3,(H2,21,22,24)/t18-/m0/s1