3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]propanoic acid

Systemtic Name: 3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]propanoic acid Openeye Name: 3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonyl-pyrrolidin-2-yl]propanoic acid CAS Name: 3-[4-[(4-methoxyphenyl)methylthio]-1-methylsulfonyl-2-pyrrolidinyl]propanoic acid IUPAC Name: 3-[4-[(4-methoxyphenyl)methylsulfanyl]-1-methylsulfonylpyrrolidin-2-yl]propanoic acid Traditional Name: 3-[1-mesyl-4-(p-anisylthio)pyrrolidin-2-yl]propionic acid Formula: C16H23NO5S2 MolecularWeight: 373.48752

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C)CCC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)S(=O)(=O)C)CCC(=O)O

InChI

InChI=1S/C16H23NO5S2/c1-22-14-6-3-12(4-7-14)11-23-15-9-13(5-8-16(18)19)17(10-15)24(2,20)21/h3-4,6-7,13,15H,5,8-11H2,1-2H3,(H,18,19)