2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-6-sulfanylidene-1,3,5-triazinan-2-yl]propanoic acid

Systemtic Name: 2-[4-(1-oxidanyl-1-oxidanylidene-propan-2-yl)-6-sulfanylidene-1,3,5-triazinan-2-yl]propanoic acid Openeye Name: 2-[4-(2-hydroxy-1-methyl-2-oxo-ethyl)-6-thioxo-1,3,5-triazinan-2-yl]propanoic acid CAS Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)-6-sulfanylidene-1,3,5-triazinan-2-yl]propanoic acid IUPAC Name: 2-[4-(1-hydroxy-1-oxopropan-2-yl)-6-sulfanylidene-1,3,5-triazinan-2-yl]propanoic acid Traditional Name: 2-[4-(2-hydroxy-2-keto-1-methyl-ethyl)-6-thioxo-1,3,5-triazinan-2-yl]propionic acid Formula: C9H15N3O4S MolecularWeight: 261.2981

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1NC(NC(=S)N1)C(C)C(=O)O)C(=O)O

Isomeric SMILES

CC(C1NC(NC(=S)N1)C(C)C(=O)O)C(=O)O

InChI

InChI=1S/C9H15N3O4S/c1-3(7(13)14)5-10-6(4(2)8(15)16)12-9(17)11-5/h3-6,10H,1-2H3,(H,13,14)(H,15,16)(H2,11,12,17)