(2R)-N-(2,2-dimethoxyethyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2R)-N-(2,2-dimethoxyethyl)-2-(3-oxidanylidene-1H-isoindol-2-yl)-3-(phenylmethylsulfanyl)propanamide Openeye Name: (2R)-3-benzylsulfanyl-N-(2,2-dimethoxyethyl)-2-(1-oxoisoindolin-2-yl)propanamide CAS Name: (2R)-N-(2,2-dimethoxyethyl)-2-(3-oxo-1H-isoindol-2-yl)-3-(phenylmethylthio)propanamide IUPAC Name: (2R)-3-benzylsulfanyl-N-(2,2-dimethoxyethyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide Traditional Name: (2R)-3-(benzylthio)-N-(2,2-dimethoxyethyl)-2-(1-ketoisoindolin-2-yl)propionamide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

COC(CNC(=O)C(CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O)OC

Isomeric SMILES

COC(CNC(=O)[C@H](CSCC1=CC=CC=C1)N2CC3=CC=CC=C3C2=O)OC

InChI

InChI=1S/C22H26N2O4S/c1-27-20(28-2)12-23-21(25)19(15-29-14-16-8-4-3-5-9-16)24-13-17-10-6-7-11-18(17)22(24)26/h3-11,19-20H,12-15H2,1-2H3,(H,23,25)/t19-/m0/s1