4-methyl-4-sulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 4-methyl-4-sulfanyl-2-[[2,4,5-tris(fluoranyl)phenyl]methoxymethyl]pyrrolidine-1-carboxylic acid Openeye Name: 4-methyl-4-sulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-carboxylic acid CAS Name: 4-mercapto-4-methyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 4-methyl-4-sulfanyl-2-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-1-carboxylic acid Traditional Name: 4-mercapto-4-methyl-2-[(2,4,5-trifluorobenzyl)oxymethyl]pyrrolidine-1-carboxylic acid Formula: C14H16F3NO3S MolecularWeight: 335.34195

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(N(C1)C(=O)O)COCC2=CC(=C(C=C2F)F)F)S

Isomeric SMILES

CC1(CC(N(C1)C(=O)O)COCC2=CC(=C(C=C2F)F)F)S

InChI

InChI=1S/C14H16F3NO3S/c1-14(22)4-9(18(7-14)13(19)20)6-21-5-8-2-11(16)12(17)3-10(8)15/h2-3,9,22H,4-7H2,1H3,(H,19,20)