2-(3-ethanoylsulfanylpropanoyl)-5-(furan-2-yl)-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-5-(furan-2-yl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-5-(2-furyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5-(2-furanyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-5-(furan-2-yl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-5-(2-furyl)-2-pyrazoline-3-carboxylic acid Formula: C13H14N2O5S MolecularWeight: 310.32566

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SCCC(=O)N1C(CC(=N1)C2=CC=CO2)C(=O)O

Isomeric SMILES

CC(=O)SCCC(=O)N1C(CC(=N1)C2=CC=CO2)C(=O)O

InChI

InChI=1S/C13H14N2O5S/c1-8(16)21-6-4-12(17)15-10(13(18)19)7-9(14-15)11-3-2-5-20-11/h2-3,5,10H,4,6-7H2,1H3,(H,18,19)