4-(4-methylphenyl)sulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-tert-butoxycarbonyl-4-(p-tolylsulfanyl)pyrrolidine-2-carboxylic acid CAS Name: 4-[(4-methylphenyl)thio]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-tert-butoxycarbonyl-4-(p-tolylthio)proline Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2CC(N(C2)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H23NO4S/c1-11-5-7-12(8-6-11)23-13-9-14(15(19)20)18(10-13)16(21)22-17(2,3)4/h5-8,13-14H,9-10H2,1-4H3,(H,19,20)