2-[5-(methylsulfanylmethyl)furan-2-yl]-2-[(5-nitropyridin-2-yl)amino]ethanoic acid

Systemtic Name: 2-[5-(methylsulfanylmethyl)furan-2-yl]-2-[(5-nitropyridin-2-yl)amino]ethanoic acid Openeye Name: 2-[5-(methylsulfanylmethyl)-2-furyl]-2-[(5-nitro-2-pyridyl)amino]acetic acid CAS Name: 2-[5-[(methylthio)methyl]-2-furanyl]-2-[(5-nitro-2-pyridinyl)amino]acetic acid IUPAC Name: 2-[5-(methylsulfanylmethyl)furan-2-yl]-2-[(5-nitropyridin-2-yl)amino]acetic acid Traditional Name: 2-[5-[(methylthio)methyl]-2-furyl]-2-[(5-nitro-2-pyridyl)amino]acetic acid Formula: C13H13N3O5S MolecularWeight: 323.32442

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=C(O1)C(C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSCC1=CC=C(O1)C(C(=O)O)NC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O5S/c1-22-7-9-3-4-10(21-9)12(13(17)18)15-11-5-2-8(6-14-11)16(19)20/h2-6,12H,7H2,1H3,(H,14,15)(H,17,18)