3-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyethanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyethanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid CAS Name: 3-[(4-fluorophenyl)methylthio]-1-(2-methoxy-1-oxoethyl)-2-pyrrolidinecarboxylic acid IUPAC Name: 3-[(4-fluorophenyl)methylsulfanyl]-1-(2-methoxyacetyl)pyrrolidine-2-carboxylic acid Traditional Name: 3-[(4-fluorobenzyl)thio]-1-(2-methoxyacetyl)proline Formula: C15H18FNO4S MolecularWeight: 327.371123

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Descriptors Computed from Structure

Canonical SMILES:

COCC(=O)N1CCC(C1C(=O)O)SCC2=CC=C(C=C2)F

Isomeric SMILES

COCC(=O)N1CCC(C1C(=O)O)SCC2=CC=C(C=C2)F

InChI

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