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

Systemtic Name: tert-butyl 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-oxidanylpropyl)pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate CAS Name: 2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylate Traditional Name: 2-(3-hydroxypropyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC(CC1CCCO)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC(CC1CCCO)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C20H31NO4S/c1-20(2,3)25-19(23)21-13-18(12-16(21)6-5-11-22)26-14-15-7-9-17(24-4)10-8-15/h7-10,16,18,22H,5-6,11-14H2,1-4H3