1-ethanoylsulfanyl-5-(furan-2-ylmethyl)-1-(2-oxidanylideneethyl)-2H-pyrrol-1-ium-5-carboxylic acid

Systemtic Name: 1-ethanoylsulfanyl-5-(furan-2-ylmethyl)-1-(2-oxidanylideneethyl)-2H-pyrrol-1-ium-5-carboxylic acid Openeye Name: 1-acetylsulfanyl-5-(2-furylmethyl)-1-(2-oxoethyl)-2H-pyrrol-1-ium-5-carboxylic acid CAS Name: 1-(acetylthio)-5-(2-furanylmethyl)-1-(2-oxoethyl)-2H-pyrrol-1-ium-5-carboxylic acid IUPAC Name: 1-acetylsulfanyl-5-(furan-2-ylmethyl)-1-(2-oxoethyl)-2H-pyrrol-1-ium-5-carboxylic acid Traditional Name: 1-(acetylthio)-2-(2-furfuryl)-1-(2-ketoethyl)-3-pyrrolin-1-ium-2-carboxylic acid Formula: C14H16NO5S+ MolecularWeight: 310.34554

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S[N+]1(CC=CC1(CC2=CC=CO2)C(=O)O)CC=O

Isomeric SMILES

CC(=O)S[N+]1(CC=CC1(CC2=CC=CO2)C(=O)O)CC=O

InChI

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