ethyl (4S)-4-methyl-6-[(3-nitro-4-phenylsulfanyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-4-methyl-6-[(3-nitro-4-phenylsulfanyl-phenyl)carbonyloxymethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-4-methyl-6-[(3-nitro-4-phenylsulfanyl-benzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-methyl-6-[[[3-nitro-4-(phenylthio)phenyl]-oxomethoxy]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-4-methyl-6-[(3-nitro-4-phenylsulfanylbenzoyl)oxymethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-2-keto-4-methyl-6-[[3-nitro-4-(phenylthio)benzoyl]oxymethyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N3O7S MolecularWeight: 471.48304

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C)COC(=O)C2=CC(=C(C=C2)SC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H21N3O7S/c1-3-31-21(27)19-13(2)23-22(28)24-16(19)12-32-20(26)14-9-10-18(17(11-14)25(29)30)33-15-7-5-4-6-8-15/h4-11,13H,3,12H2,1-2H3,(H2,23,24,28)/t13-/m0/s1