methyl 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate

Systemtic Name: methyl 1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate Openeye Name: methyl 1-[2-(1,3-dioxoisoindolin-2-yl)-4-methylsulfanyl-butanoyl]piperidine-4-carboxylate CAS Name: 1-[2-(1,3-dioxo-2-isoindolyl)-4-(methylthio)-1-oxobutyl]-4-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 1-[2-(1,3-dioxoisoindol-2-yl)-4-methylsulfanylbutanoyl]piperidine-4-carboxylate Traditional Name: 1-[4-(methylthio)-2-phthalimido-butanoyl]isonipecotic acid methyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CCN(CC1)C(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

COC(=O)C1CCN(CC1)C(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C20H24N2O5S/c1-27-20(26)13-7-10-21(11-8-13)19(25)16(9-12-28-2)22-17(23)14-5-3-4-6-15(14)18(22)24/h3-6,13,16H,7-12H2,1-2H3