1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]-4-(4-methylphenyl)sulfonyloxy-4-oxidanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]-4-(4-methylphenyl)sulfonyloxy-4-oxidanyl-pyrrolidine-2-carboxylic acid Openeye Name: 4-hydroxy-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]-4-(p-tolylsulfonyloxy)pyrrolidine-2-carboxylic acid CAS Name: 4-hydroxy-1-[3-[(4-methoxyphenyl)methylthio]-2-methyl-1-oxopropyl]-4-(4-methylphenyl)sulfonyloxy-2-pyrrolidinecarboxylic acid IUPAC Name: 4-hydroxy-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoyl]-4-(4-methylphenyl)sulfonyloxypyrrolidine-2-carboxylic acid Traditional Name: 4-hydroxy-1-[2-methyl-3-(p-anisylthio)propanoyl]-4-tosyloxy-proline Formula: C24H29NO8S2 MolecularWeight: 523.61896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2(CC(N(C2)C(=O)C(C)CSCC3=CC=C(C=C3)OC)C(=O)O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2(CC(N(C2)C(=O)C(C)CSCC3=CC=C(C=C3)OC)C(=O)O)O

InChI

InChI=1S/C24H29NO8S2/c1-16-4-10-20(11-5-16)35(30,31)33-24(29)12-21(23(27)28)25(15-24)22(26)17(2)13-34-14-18-6-8-19(32-3)9-7-18/h4-11,17,21,29H,12-15H2,1-3H3,(H,27,28)