3-[[(2S)-1,3-thiazolidin-3-ium-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate

Systemtic Name: 3-[[(2S)-1,3-thiazolidin-3-ium-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Openeye Name: 3-[[(2S)-thiazolidin-3-ium-2-yl]sulfanylmethyl]benzofuran-2-carboxylate CAS Name: 3-[[[(2S)-2-thiazolidin-3-iumyl]thio]methyl]-2-benzofurancarboxylate IUPAC Name: 3-[[(2S)-1,3-thiazolidin-3-ium-2-yl]sulfanylmethyl]-1-benzofuran-2-carboxylate Traditional Name: 3-[[[(2S)-thiazolidin-3-ium-2-yl]thio]methyl]coumarilate Formula: C13H13NO3S2 MolecularWeight: 295.37722

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC([NH2+]1)SCC2=C(OC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

C1CS[C@@H]([NH2+]1)SCC2=C(OC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C13H13NO3S2/c15-12(16)11-9(7-19-13-14-5-6-18-13)8-3-1-2-4-10(8)17-11/h1-4,13-14H,5-7H2,(H,15,16)/t13-/m1/s1