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

Systemtic Name: dimethyl (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-hexylsulfanyl-pentanedioate Openeye Name: dimethyl (2S)-2-(1,3-dioxoisoindolin-2-yl)-4-hexylsulfanyl-pentanedioate CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-4-(hexylthio)pentanedioic acid dimethyl ester IUPAC Name: dimethyl (2S)-2-(1,3-dioxoisoindol-2-yl)-4-hexylsulfanylpentanedioate Traditional Name: (4S)-2-(hexylthio)-4-phthalimido-glutaric acid dimethyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO6S/c1-4-5-6-9-12-29-17(21(26)28-3)13-16(20(25)27-2)22-18(23)14-10-7-8-11-15(14)19(22)24/h7-8,10-11,16-17H,4-6,9,12-13H2,1-3H3/t16-,17?/m0/s1