3-fluoranyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydropyrrole-5-carboxylic acid

Systemtic Name: 3-fluoranyl-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydropyrrole-5-carboxylic acid Openeye Name: 3-fluoro-1-(2-methyl-3-sulfanyl-propanoyl)-2,3-dihydropyrrole-5-carboxylic acid CAS Name: 3-fluoro-1-(3-mercapto-2-methyl-1-oxopropyl)-2,3-dihydropyrrole-5-carboxylic acid IUPAC Name: 3-fluoro-1-(2-methyl-3-sulfanylpropanoyl)-2,3-dihydropyrrole-5-carboxylic acid Traditional Name: 4-fluoro-1-(3-mercapto-2-methyl-propanoyl)-2-pyrroline-2-carboxylic acid Formula: C9H12FNO3S MolecularWeight: 233.259883

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(C=C1C(=O)O)F

Isomeric SMILES

CC(CS)C(=O)N1CC(C=C1C(=O)O)F

InChI

InChI=1S/C9H12FNO3S/c1-5(4-15)8(12)11-3-6(10)2-7(11)9(13)14/h2,5-6,15H,3-4H2,1H3,(H,13,14)