(2S)-4-(3-fluorophenyl)-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid

Systemtic Name: (2S)-4-(3-fluorophenyl)-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid Openeye Name: (2S)-4-(3-fluorophenyl)-1-(2-methyl-3-sulfanyl-propanoyl)-2,5-dihydropyrrole-2-carboxylic acid CAS Name: (2S)-4-(3-fluorophenyl)-1-(3-mercapto-2-methyl-1-oxopropyl)-2,5-dihydropyrrole-2-carboxylic acid IUPAC Name: (2S)-4-(3-fluorophenyl)-1-(2-methyl-3-sulfanylpropanoyl)-2,5-dihydropyrrole-2-carboxylic acid Traditional Name: (2S)-4-(3-fluorophenyl)-1-(3-mercapto-2-methyl-propanoyl)-3-pyrroline-2-carboxylic acid Formula: C15H16FNO3S MolecularWeight: 309.355843

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(=CC1C(=O)O)C2=CC(=CC=C2)F

Isomeric SMILES

CC(CS)C(=O)N1CC(=C[C@H]1C(=O)O)C2=CC(=CC=C2)F

InChI

InChI=1S/C15H16FNO3S/c1-9(8-21)14(18)17-7-11(6-13(17)15(19)20)10-3-2-4-12(16)5-10/h2-6,9,13,21H,7-8H2,1H3,(H,19,20)/t9?,13-/m0/s1