dimethyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-decylsulfanyl-pentanedioate

Systemtic Name: dimethyl (2S,4R)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-decylsulfanyl-pentanedioate Openeye Name: dimethyl (2R,4S)-2-decylsulfanyl-4-(1,3-dioxoisoindolin-2-yl)pentanedioate CAS Name: (2R,4S)-2-(decylthio)-4-(1,3-dioxo-2-isoindolyl)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2R,4S)-2-decylsulfanyl-4-(1,3-dioxoisoindol-2-yl)pentanedioate Traditional Name: (2R,4S)-2-(decylthio)-4-phthalimido-glutaric acid dimethyl ester Formula: C25H35NO6S MolecularWeight: 477.6135

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCSC(CC(C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)C(=O)OC

Isomeric SMILES

CCCCCCCCCCS[C@H](C[C@@H](C(=O)OC)N1C(=O)C2=CC=CC=C2C1=O)C(=O)OC

InChI

InChI=1S/C25H35NO6S/c1-4-5-6-7-8-9-10-13-16-33-21(25(30)32-3)17-20(24(29)31-2)26-22(27)18-14-11-12-15-19(18)23(26)28/h11-12,14-15,20-21H,4-10,13,16-17H2,1-3H3/t20-,21+/m0/s1