2-[(4R,5R)-6-methylidene-5-phenoxycarbonyl-2-sulfanylidene-1,3-diazinan-4-yl]-4-nitro-phenolate

Systemtic Name: 2-[(4R,5R)-6-methylidene-5-phenoxycarbonyl-2-sulfanylidene-1,3-diazinan-4-yl]-4-nitro-phenolate Openeye Name: 2-[(4R,5R)-6-methylene-5-phenoxycarbonyl-2-thioxo-hexahydropyrimidin-4-yl]-4-nitro-phenolate CAS Name: 2-[(4R,5R)-6-methylene-5-[oxo(phenoxy)methyl]-2-sulfanylidene-1,3-diazinan-4-yl]-4-nitrophenolate IUPAC Name: 2-[(4R,5R)-6-methylidene-5-phenoxycarbonyl-2-sulfanylidene-1,3-diazinan-4-yl]-4-nitrophenolate Traditional Name: 2-[(4R,5R)-5-carbophenoxy-6-methylene-2-thioxo-hexahydropyrimidin-4-yl]-4-nitro-phenolate Formula: C18H14N3O5S- MolecularWeight: 384.38586

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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)/p-1/t15-,16-/m0/s1