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

Systemtic Name: 2-(3-ethanoylsulfanylpropanoyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanylpropanoyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-1-oxopropyl]-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanylpropanoyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)propanoyl]-5-(4-methoxyphenyl)-2-pyrazoline-3-carboxylic acid Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O5S/c1-10(19)24-8-7-15(20)18-14(16(21)22)9-13(17-18)11-3-5-12(23-2)6-4-11/h3-6,14H,7-9H2,1-2H3,(H,21,22)