4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylic acid Openeye Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylic acid CAS Name: 4-[(4-methoxyphenyl)methylthio]-2-(3-methylsulfonyloxypropyl)-1-pyrrolidinecarboxylic acid IUPAC Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-methylsulfonyloxypropyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-(3-methylsulfonyloxypropyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C17H25NO6S2 MolecularWeight: 403.5135

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCCOS(=O)(=O)C

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCCOS(=O)(=O)C

InChI

InChI=1S/C17H25NO6S2/c1-23-15-7-5-13(6-8-15)12-25-16-10-14(18(11-16)17(19)20)4-3-9-24-26(2,21)22/h5-8,14,16H,3-4,9-12H2,1-2H3,(H,19,20)