2-methylsulfanylethyl (6S)-6-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylsulfanylethyl (6S)-6-(3-methoxy-5-nitro-4-oxidanyl-phenyl)-3,4-dimethyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: 2-methylsulfanylethyl (6S)-6-(4-hydroxy-3-methoxy-5-nitro-phenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester IUPAC Name: 2-methylsulfanylethyl (6S)-6-(4-hydroxy-3-methoxy-5-nitrophenyl)-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-hydroxy-3-methoxy-5-nitro-phenyl)-2-keto-3,4-dimethyl-1,6-dihydropyrimidine-5-carboxylic acid 2-(methylthio)ethyl ester Formula: C17H21N3O7S MolecularWeight: 411.42954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=O)N1C)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCCSC

Isomeric SMILES

CC1=C([C@@H](NC(=O)N1C)C2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)OCCSC

InChI

InChI=1S/C17H21N3O7S/c1-9-13(16(22)27-5-6-28-4)14(18-17(23)19(9)2)10-7-11(20(24)25)15(21)12(8-10)26-3/h7-8,14,21H,5-6H2,1-4H3,(H,18,23)/t14-/m0/s1