phenyl (5R,6R)-4-methylidene-6-(5-nitro-2-oxidanyl-phenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate

Systemtic Name: phenyl (5R,6R)-4-methylidene-6-(5-nitro-2-oxidanyl-phenyl)-2-sulfanylidene-1,3-diazinane-5-carboxylate Openeye Name: phenyl (4R,5R)-4-(2-hydroxy-5-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylate CAS Name: (4R,5R)-4-(2-hydroxy-5-nitrophenyl)-6-methylene-2-sulfanylidene-1,3-diazinane-5-carboxylic acid phenyl ester IUPAC Name: phenyl (4R,5R)-4-(2-hydroxy-5-nitrophenyl)-6-methylidene-2-sulfanylidene-1,3-diazinane-5-carboxylate Traditional Name: (4R,5R)-4-(2-hydroxy-5-nitro-phenyl)-6-methylene-2-thioxo-hexahydropyrimidine-5-carboxylic acid phenyl ester Formula: C18H15N3O5S MolecularWeight: 385.3938

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Descriptors Computed from Structure

Canonical SMILES:

C=C1C(C(NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)OC3=CC=CC=C3

Isomeric SMILES

C=C1[C@@H]([C@@H](NC(=S)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)OC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O5S/c1-10-15(17(23)26-12-5-3-2-4-6-12)16(20-18(27)19-10)13-9-11(21(24)25)7-8-14(13)22/h2-9,15-16,22H,1H2,(H2,19,20,27)/t15-,16-/m0/s1