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

Systemtic Name: 2-methylsulfanylethyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4R)-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-6-methyl-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C15H17N3O5S MolecularWeight: 351.37758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C([C@H](NC(=O)N1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCCSC

InChI

InChI=1S/C15H17N3O5S/c1-9-12(14(19)23-6-7-24-2)13(17-15(20)16-9)10-4-3-5-11(8-10)18(21)22/h3-5,8,13H,6-7H2,1-2H3,(H2,16,17,20)/t13-/m1/s1