N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]furan-2-carboxamide

Systemtic Name: N-[3-[(2S)-2,3-bis(oxidanyl)propyl]sulfanyl-5-nitro-phenyl]furan-2-carboxamide Openeye Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitro-phenyl]furan-2-carboxamide CAS Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitrophenyl]-2-furancarboxamide IUPAC Name: N-[3-[(2S)-2,3-dihydroxypropyl]sulfanyl-5-nitrophenyl]furan-2-carboxamide Traditional Name: N-[3-[[(2S)-2,3-dihydroxypropyl]thio]-5-nitro-phenyl]-2-furamide Formula: C14H14N2O6S MolecularWeight: 338.33576

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Descriptors Computed from Structure

Canonical SMILES:

C1=COC(=C1)C(=O)NC2=CC(=CC(=C2)SCC(CO)O)[N+](=O)[O-]

Isomeric SMILES

C1=COC(=C1)C(=O)NC2=CC(=CC(=C2)SC[C@H](CO)O)[N+](=O)[O-]

InChI

InChI=1S/C14H14N2O6S/c17-7-11(18)8-23-12-5-9(4-10(6-12)16(20)21)15-14(19)13-2-1-3-22-13/h1-6,11,17-18H,7-8H2,(H,15,19)/t11-/m0/s1