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

Systemtic Name: (3S)-2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydropyrazole-3-carboxylic acid Openeye Name: (3S)-2-(2-methyl-3-sulfanyl-propanoyl)-3,4-dihydropyrazole-3-carboxylic acid CAS Name: (3S)-2-(3-mercapto-2-methyl-1-oxopropyl)-3,4-dihydropyrazole-3-carboxylic acid IUPAC Name: (3S)-2-(2-methyl-3-sulfanylpropanoyl)-3,4-dihydropyrazole-3-carboxylic acid Traditional Name: (3S)-2-(3-mercapto-2-methyl-propanoyl)-2-pyrazoline-3-carboxylic acid Formula: C8H12N2O3S MolecularWeight: 216.25748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C8H12N2O3S/c1-5(4-14)7(11)10-6(8(12)13)2-3-9-10/h3,5-6,14H,2,4H2,1H3,(H,12,13)/t5?,6-/m0/s1