(2S)-N-(3-chloranyl-4-methoxy-phenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide

Systemtic Name: (2S)-N-(3-chloranyl-4-methoxy-phenyl)-4-methylsulfanyl-2-(3-oxidanylidene-1H-isoindol-2-yl)butanamide Openeye Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-4-methylsulfanyl-2-(1-oxoisoindolin-2-yl)butanamide CAS Name: (2S)-N-(3-chloro-4-methoxyphenyl)-4-(methylthio)-2-(3-oxo-1H-isoindol-2-yl)butanamide IUPAC Name: (2S)-N-(3-chloro-4-methoxyphenyl)-4-methylsulfanyl-2-(3-oxo-1H-isoindol-2-yl)butanamide Traditional Name: (2S)-N-(3-chloro-4-methoxy-phenyl)-2-(1-ketoisoindolin-2-yl)-4-(methylthio)butyramide Formula: C20H21ClN2O3S MolecularWeight: 404.91034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O3S/c1-26-18-8-7-14(11-16(18)21)22-19(24)17(9-10-27-2)23-12-13-5-3-4-6-15(13)20(23)25/h3-8,11,17H,9-10,12H2,1-2H3,(H,22,24)/t17-/m0/s1