2-ethylsulfanylethyl (4R)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-ethylsulfanylethyl (4R)-6-methyl-4-(3-nitro-4-oxidanyl-phenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-ethylsulfanylethyl (4R)-4-(4-hydroxy-3-nitro-phenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester IUPAC Name: 2-ethylsulfanylethyl (4R)-4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(4-hydroxy-3-nitro-phenyl)-2-keto-6-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(ethylthio)ethyl ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CCSCCOC(=O)C1=C(NC(=O)NC1C2=CC(=C(C=C2)O)[N+](=O)[O-])C

Isomeric SMILES

CCSCCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC(=C(C=C2)O)[N+](=O)[O-])C

InChI

InChI=1S/C16H19N3O6S/c1-3-26-7-6-25-15(21)13-9(2)17-16(22)18-14(13)10-4-5-12(20)11(8-10)19(23)24/h4-5,8,14,20H,3,6-7H2,1-2H3,(H2,17,18,22)/t14-/m1/s1