4-(4-fluoranylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-fluoranylphenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 4-(4-fluorophenoxy)-1-(2-methyl-3-sulfanyl-propanoyl)pyrrolidine-2-carboxylic acid CAS Name: 4-(4-fluorophenoxy)-1-(3-mercapto-2-methyl-1-oxopropyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-fluorophenoxy)-1-(2-methyl-3-sulfanylpropanoyl)pyrrolidine-2-carboxylic acid Traditional Name: 4-(4-fluorophenoxy)-1-(3-mercapto-2-methyl-propanoyl)proline Formula: C15H18FNO4S MolecularWeight: 327.371123

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Descriptors Computed from Structure

Canonical SMILES:

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F

Isomeric SMILES

CC(CS)C(=O)N1CC(CC1C(=O)O)OC2=CC=C(C=C2)F

InChI

InChI=1S/C15H18FNO4S/c1-9(8-22)14(18)17-7-12(6-13(17)15(19)20)21-11-4-2-10(16)3-5-11/h2-5,9,12-13,22H,6-8H2,1H3,(H,19,20)