2-phenylsulfanylethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-phenylsulfanylethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-phenylsulfanylethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl (4S)-4-(2-chlorophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(2-chlorophenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(phenylthio)ethyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC=CC=C2Cl)C(=O)OCCSC3=CC=CC=C3

InChI

InChI=1S/C20H19ClN2O3S/c1-13-17(19(24)26-11-12-27-14-7-3-2-4-8-14)18(23-20(25)22-13)15-9-5-6-10-16(15)21/h2-10,18H,11-12H2,1H3,(H2,22,23,25)/t18-/m1/s1