ethyl (4S,5S,6S)-4-methyl-6-(4-nitrophenyl)-4-oxidanyl-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: ethyl (4S,5S,6S)-4-methyl-6-(4-nitrophenyl)-4-oxidanyl-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: ethyl (4S,5S,6S)-4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4S,5S,6S)-4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S,5S,6S)-4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4S,5S,6S)-4-hydroxy-4-methyl-6-(4-nitrophenyl)-2-thioxo-hexahydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H17N3O5S MolecularWeight: 339.36688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(NC(=S)NC1(C)O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O5S/c1-3-22-12(18)10-11(15-13(23)16-14(10,2)19)8-4-6-9(7-5-8)17(20)21/h4-7,10-11,19H,3H2,1-2H3,(H2,15,16,23)/t10-,11-,14+/m1/s1