1-(2-ethanoylsulfanylethanoyl)-5-(furan-2-ylmethyl)-2H-pyrrole-5-carboxylic acid

Systemtic Name: 1-(2-ethanoylsulfanylethanoyl)-5-(furan-2-ylmethyl)-2H-pyrrole-5-carboxylic acid Openeye Name: 1-(2-acetylsulfanylacetyl)-5-(2-furylmethyl)-2H-pyrrole-5-carboxylic acid CAS Name: 1-[2-(acetylthio)-1-oxoethyl]-5-(2-furanylmethyl)-2H-pyrrole-5-carboxylic acid IUPAC Name: 1-(2-acetylsulfanylacetyl)-5-(furan-2-ylmethyl)-2H-pyrrole-5-carboxylic acid Traditional Name: 1-[2-(acetylthio)acetyl]-2-(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=CC1(CC2=CC=CO2)C(=O)O

Isomeric SMILES

CC(=O)SCC(=O)N1CC=CC1(CC2=CC=CO2)C(=O)O

InChI

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