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

Systemtic Name: 5-(furan-2-yl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 5-(2-furyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 5-(2-furanyl)-2-(3-mercapto-1-oxopropyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 5-(furan-2-yl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 5-(2-furyl)-2-(3-mercaptopropanoyl)-2-pyrazoline-3-carboxylic acid Formula: C11H12N2O4S MolecularWeight: 268.28898

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(N=C1C2=CC=CO2)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(N=C1C2=CC=CO2)C(=O)CCS)C(=O)O

InChI

InChI=1S/C11H12N2O4S/c14-10(3-5-18)13-8(11(15)16)6-7(12-13)9-2-1-4-17-9/h1-2,4,8,18H,3,5-6H2,(H,15,16)