(2S)-N-(4-ethanoylphenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-(4-ethanoylphenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-(4-acetylphenyl)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-(4-acetylphenyl)-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-(4-acetylphenyl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-N-(4-acetylphenyl)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butyramide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-14(24)15-7-9-17(10-8-15)22-20(25)19(11-12-27-2)23-13-16-5-3-4-6-18(16)21(23)26/h3-10,19H,11-13H2,1-2H3,(H,22,25)/t19-/m0/s1