2-methylsulfanylethyl (4S)-6-methyl-4-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (4S)-6-methyl-4-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (4S)-6-methyl-4-(4-methyl-3-nitro-phenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (4S)-6-methyl-4-(4-methyl-3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-6-methyl-4-(4-methyl-3-nitro-phenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C16H19N3O5S MolecularWeight: 365.40416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCCSC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[C@H]2C(=C(NC(=O)N2)C)C(=O)OCCSC)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O5S/c1-9-4-5-11(8-12(9)19(22)23)14-13(10(2)17-16(21)18-14)15(20)24-6-7-25-3/h4-5,8,14H,6-7H2,1-3H3,(H2,17,18,21)/t14-/m0/s1