4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-oxidanylpropyl)pyrrolidine-1-carboxylic acid

Systemtic Name: 4-[(4-methoxyphenyl)methylsulfanyl]-2-(3-oxidanylpropyl)pyrrolidine-1-carboxylic acid Openeye Name: 2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid CAS Name: 2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methylthio]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-(3-hydroxypropyl)-4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-(3-hydroxypropyl)-4-(p-anisylthio)pyrrolidine-1-carboxylic acid Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCCO

Isomeric SMILES

COC1=CC=C(C=C1)CSC2CC(N(C2)C(=O)O)CCCO

InChI

InChI=1S/C16H23NO4S/c1-21-14-6-4-12(5-7-14)11-22-15-9-13(3-2-8-18)17(10-15)16(19)20/h4-7,13,15,18H,2-3,8-11H2,1H3,(H,19,20)