tert-butyl 1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[3-[(4-methoxyphenyl)methylthio]-2-(methylthio)-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylsulfanylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[2-(methylthio)-3-(p-anisylthio)propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H31NO4S2 MolecularWeight: 425.60514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CSCC2=CC=C(C=C2)OC)SC

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=O)C(CSCC2=CC=C(C=C2)OC)SC

InChI

InChI=1S/C21H31NO4S2/c1-21(2,3)26-20(24)17-7-6-12-22(17)19(23)18(27-5)14-28-13-15-8-10-16(25-4)11-9-15/h8-11,17-18H,6-7,12-14H2,1-5H3