2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanylmethyl]pyrrolidine-1-carboxylic acid

Systemtic Name: 2-[4-[1,3-bis(oxidanylidene)isoindol-2-yl]butylsulfanylmethyl]pyrrolidine-1-carboxylic acid Openeye Name: 2-[4-(1,3-dioxoisoindolin-2-yl)butylsulfanylmethyl]pyrrolidine-1-carboxylic acid CAS Name: 2-[[4-(1,3-dioxo-2-isoindolyl)butylthio]methyl]-1-pyrrolidinecarboxylic acid IUPAC Name: 2-[4-(1,3-dioxoisoindol-2-yl)butylsulfanylmethyl]pyrrolidine-1-carboxylic acid Traditional Name: 2-[(4-phthalimidobutylthio)methyl]pyrrolidine-1-carboxylic acid Formula: C18H22N2O4S MolecularWeight: 362.44328

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)O)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

C1CC(N(C1)C(=O)O)CSCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C18H22N2O4S/c21-16-14-7-1-2-8-15(14)17(22)20(16)9-3-4-11-25-12-13-6-5-10-19(13)18(23)24/h1-2,7-8,13H,3-6,9-12H2,(H,23,24)