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

Systemtic Name: tert-butyl (2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl (2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methyl-propanoyl]pyrrolidine-2-carboxylate CAS Name: (2S)-1-[3-[(4-methoxyphenyl)methylthio]-2-methyl-1-oxopropyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-1-[3-[(4-methoxyphenyl)methylsulfanyl]-2-methylpropanoyl]pyrrolidine-2-carboxylate Traditional Name: (2S)-1-[2-methyl-3-(p-anisylthio)propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C21H31NO4S MolecularWeight: 393.54014

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSCC1=CC=C(C=C1)OC)C(=O)N2CCCC2C(=O)OC(C)(C)C

Isomeric SMILES

CC(CSCC1=CC=C(C=C1)OC)C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C

InChI

InChI=1S/C21H31NO4S/c1-15(13-27-14-16-8-10-17(25-5)11-9-16)19(23)22-12-6-7-18(22)20(24)26-21(2,3)4/h8-11,15,18H,6-7,12-14H2,1-5H3/t15?,18-/m0/s1