2-(2-methyl-1-methylsulfanyl-3-oxidanylidene-3-phenylmethoxy-propyl)pyrrolidine-1-carboxylic acid

Systemtic Name: 2-(2-methyl-1-methylsulfanyl-3-oxidanylidene-3-phenylmethoxy-propyl)pyrrolidine-1-carboxylic acid Openeye Name: 2-(3-benzyloxy-2-methyl-1-methylsulfanyl-3-oxo-propyl)pyrrolidine-1-carboxylic acid CAS Name: 2-[2-methyl-1-(methylthio)-3-oxo-3-phenylmethoxypropyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-(2-methyl-1-methylsulfanyl-3-oxo-3-phenylmethoxypropyl)pyrrolidine-1-carboxylic acid Traditional Name: 2-[3-benzoxy-3-keto-2-methyl-1-(methylthio)propyl]pyrrolidine-1-carboxylic acid Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C1CCCN1C(=O)O)SC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C(C1CCCN1C(=O)O)SC)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C17H23NO4S/c1-12(16(19)22-11-13-7-4-3-5-8-13)15(23-2)14-9-6-10-18(14)17(20)21/h3-5,7-8,12,14-15H,6,9-11H2,1-2H3,(H,20,21)