3-[[2-[[(N'-methyl-N-nitro-carbamimidoyl)amino]methyl]-1,3-thiazol-5-yl]sulfanyl]propanoic acid

Systemtic Name: 3-[[2-[[(N'-methyl-N-nitro-carbamimidoyl)amino]methyl]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Openeye Name: 3-[2-[[(N'-methyl-N-nitro-carbamimidoyl)amino]methyl]thiazol-5-yl]sulfanylpropanoic acid CAS Name: 3-[[2-[[[methylimino(nitramido)methyl]amino]methyl]-5-thiazolyl]thio]propanoic acid IUPAC Name: 3-[[2-[[(N'-methyl-N-nitrocarbamimidoyl)amino]methyl]-1,3-thiazol-5-yl]sulfanyl]propanoic acid Traditional Name: 3-[[2-[[(N'-methyl-N-nitro-amidino)amino]methyl]thiazol-5-yl]thio]propionic acid Formula: C9H13N5O4S2 MolecularWeight: 319.36062

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(NCC1=NC=C(S1)SCCC(=O)O)N[N+](=O)[O-]

Isomeric SMILES

CN=C(NCC1=NC=C(S1)SCCC(=O)O)N[N+](=O)[O-]

InChI

InChI=1S/C9H13N5O4S2/c1-10-9(13-14(17)18)12-4-6-11-5-8(20-6)19-3-2-7(15)16/h5H,2-4H2,1H3,(H,15,16)(H2,10,12,13)