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

Systemtic Name: 5-(4-methoxyphenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 5-(4-methoxyphenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 5-(4-methoxyphenyl)-2-(3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-5-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid Formula: C14H16N2O4S MolecularWeight: 308.35284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C(C2)C(=O)O)C(=O)CCS

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C(C2)C(=O)O)C(=O)CCS

InChI

InChI=1S/C14H16N2O4S/c1-20-10-4-2-9(3-5-10)11-8-12(14(18)19)16(15-11)13(17)6-7-21/h2-5,12,21H,6-8H2,1H3,(H,18,19)