(2S)-N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-(2,5-dimethoxyphenyl)-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-(2,5-dimethoxyphenyl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-N-(2,5-dimethoxyphenyl)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butyramide Formula: C21H24N2O4S MolecularWeight: 400.49126

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)C(CCSC)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)[C@H](CCSC)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C21H24N2O4S/c1-26-15-8-9-19(27-2)17(12-15)22-20(24)18(10-11-28-3)23-13-14-6-4-5-7-16(14)21(23)25/h4-9,12,18H,10-11,13H2,1-3H3,(H,22,24)/t18-/m0/s1