(3S)-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydropyrazole-3-carboxylic acid

Systemtic Name: (3S)-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: (3S)-2-(3-acetylsulfanyl-2-methyl-propanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: (3S)-2-[3-(acetylthio)-2-methyl-1-oxopropyl]-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: (3S)-2-(3-acetylsulfanyl-2-methylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: (3S)-2-[3-(acetylthio)-2-methyl-propanoyl]-2-pyrazoline-3-carboxylic acid Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1C(CC=N1)C(=O)O

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1[C@@H](CC=N1)C(=O)O

InChI

InChI=1S/C10H14N2O4S/c1-6(5-17-7(2)13)9(14)12-8(10(15)16)3-4-11-12/h4,6,8H,3,5H2,1-2H3,(H,15,16)/t6?,8-/m0/s1