1-(2-ethanoylsulfanylethanoyl)-4-(furan-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: 1-(2-ethanoylsulfanylethanoyl)-4-(furan-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: 1-(2-acetylsulfanylacetyl)-4-(2-furylmethyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: 1-[2-(acetylthio)-1-oxoethyl]-4-(2-furanylmethyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: 1-(2-acetylsulfanylacetyl)-4-(furan-2-ylmethyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: 1-[2-(acetylthio)acetyl]-4-(2-furfuryl)-3-pyrroline-2-carboxylic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCC(=O)N1CC(=CC1C(=O)O)CC2=CC=CO2

Isomeric SMILES

CC(=O)SCC(=O)N1CC(=CC1C(=O)O)CC2=CC=CO2

InChI

InChI=1S/C14H15NO5S/c1-9(16)21-8-13(17)15-7-10(6-12(15)14(18)19)5-11-3-2-4-20-11/h2-4,6,12H,5,7-8H2,1H3,(H,18,19)