(2R)-2-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoate

Systemtic Name: (2R)-2-[[5-oxidanylidene-6-(3-oxidanylidene-3-propan-2-yloxy-propyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoate Openeye Name: (2R)-2-[[6-(3-isopropoxy-3-oxo-propyl)-5-oxo-2H-1,2,4-triazin-3-yl]sulfanyl]propanoate CAS Name: (2R)-2-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]thio]propanoate IUPAC Name: (2R)-2-[[5-oxo-6-(3-oxo-3-propan-2-yloxypropyl)-2H-1,2,4-triazin-3-yl]sulfanyl]propanoate Traditional Name: (2R)-2-[[6-(3-isopropoxy-3-keto-propyl)-5-keto-2H-1,2,4-triazin-3-yl]thio]propionate Formula: C12H16N3O5S- MolecularWeight: 314.33754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CCC1=NNC(=NC1=O)SC(C)C(=O)[O-]

Isomeric SMILES

C[C@H](C(=O)[O-])SC1=NC(=O)C(=NN1)CCC(=O)OC(C)C

InChI

InChI=1S/C12H17N3O5S/c1-6(2)20-9(16)5-4-8-10(17)13-12(15-14-8)21-7(3)11(18)19/h6-7H,4-5H2,1-3H3,(H,18,19)(H,13,15,17)/p-1/t7-/m1/s1