2-[[(2S)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]sulfanylmethyl]-5-phenyl-furan-3-carboxylate

Systemtic Name: 2-[[(2S)-2-azaniumyl-3-oxidanidyl-3-oxidanylidene-propyl]sulfanylmethyl]-5-phenyl-furan-3-carboxylate Openeye Name: 2-[[(2S)-2-azaniumyl-3-oxido-3-oxo-propyl]sulfanylmethyl]-5-phenyl-furan-3-carboxylate CAS Name: 2-[[[(2S)-2-ammonio-3-oxido-3-oxopropyl]thio]methyl]-5-phenyl-3-furancarboxylate IUPAC Name: 2-[[(2S)-2-azaniumyl-3-oxido-3-oxopropyl]sulfanylmethyl]-5-phenylfuran-3-carboxylate Traditional Name: 2-[[[(2S)-2-ammonio-3-keto-3-oxido-propyl]thio]methyl]-5-phenyl-3-furoate Formula: C15H14NO5S- MolecularWeight: 320.34036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=C(O2)CSCC(C(=O)[O-])[NH3+])C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=C(O2)CSC[C@H](C(=O)[O-])[NH3+])C(=O)[O-]

InChI

InChI=1S/C15H15NO5S/c16-11(15(19)20)7-22-8-13-10(14(17)18)6-12(21-13)9-4-2-1-3-5-9/h1-6,11H,7-8,16H2,(H,17,18)(H,19,20)/p-1/t11-/m1/s1