1-(5-methoxy-2-methyl-5-oxidanylidene-pentanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(5-methoxy-2-methyl-5-oxidanylidene-pentanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid Openeye Name: 1-(5-methoxy-2-methyl-5-oxo-pentanoyl)-4-phenylsulfanyl-pyrrolidine-2-carboxylic acid CAS Name: 1-(5-methoxy-2-methyl-1,5-dioxopentyl)-4-(phenylthio)-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(5-methoxy-2-methyl-5-oxopentanoyl)-4-phenylsulfanylpyrrolidine-2-carboxylic acid Traditional Name: 1-(5-keto-5-methoxy-2-methyl-pentanoyl)-4-(phenylthio)proline Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(=O)OC)C(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2

Isomeric SMILES

CC(CCC(=O)OC)C(=O)N1CC(CC1C(=O)O)SC2=CC=CC=C2

InChI

InChI=1S/C18H23NO5S/c1-12(8-9-16(20)24-2)17(21)19-11-14(10-15(19)18(22)23)25-13-6-4-3-5-7-13/h3-7,12,14-15H,8-11H2,1-2H3,(H,22,23)