[(3R,4S)-4-benzamidothiolan-3-yl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate

Systemtic Name: [(3R,4S)-4-benzamidothiolan-3-yl] 6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoate Openeye Name: [(3R,4S)-4-benzamidotetrahydrothiophen-3-yl] 6-(1,3-dioxoisoindolin-2-yl)hexanoate CAS Name: 6-(1,3-dioxo-2-isoindolyl)hexanoic acid [(3R,4S)-4-benzamido-3-thiolanyl] ester IUPAC Name: [(3R,4S)-4-benzamidothiolan-3-yl] 6-(1,3-dioxoisoindol-2-yl)hexanoate Traditional Name: 6-phthalimidohexanoic acid [(3R,4S)-4-benzamidotetrahydrothiophen-3-yl] ester Formula: C25H26N2O5S MolecularWeight: 466.54934

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(CS1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4

Isomeric SMILES

C1[C@H]([C@H](CS1)OC(=O)CCCCCN2C(=O)C3=CC=CC=C3C2=O)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H26N2O5S/c28-22(32-21-16-33-15-20(21)26-23(29)17-9-3-1-4-10-17)13-5-2-8-14-27-24(30)18-11-6-7-12-19(18)25(27)31/h1,3-4,6-7,9-12,20-21H,2,5,8,13-16H2,(H,26,29)/t20-,21+/m1/s1