2-azanyl-3-[(5-nitrofuran-2-yl)methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[(5-nitrofuran-2-yl)methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[(5-nitro-2-furyl)methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[(5-nitro-2-furanyl)methylthio]propanoic acid IUPAC Name: 2-amino-3-[(5-nitrofuran-2-yl)methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[(5-nitro-2-furyl)methylthio]propionic acid Formula: C8H10N2O5S MolecularWeight: 246.2404

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(OC(=C1)[N+](=O)[O-])CSCC(C(=O)O)N

Isomeric SMILES

C1=C(OC(=C1)[N+](=O)[O-])CSCC(C(=O)O)N

InChI

InChI=1S/C8H10N2O5S/c9-6(8(11)12)4-16-3-5-1-2-7(15-5)10(13)14/h1-2,6H,3-4,9H2,(H,11,12)