(2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethylphenyl)-4-methylsulfanyl-butanamide

Systemtic Name: (2S)-2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-(3-ethylphenyl)-4-methylsulfanyl-butanamide Openeye Name: (2S)-2-(1,3-dioxoisoindolin-2-yl)-N-(3-ethylphenyl)-4-methylsulfanyl-butanamide CAS Name: (2S)-2-(1,3-dioxo-2-isoindolyl)-N-(3-ethylphenyl)-4-(methylthio)butanamide IUPAC Name: (2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)-4-methylsulfanylbutanamide Traditional Name: (2S)-N-(3-ethylphenyl)-4-(methylthio)-2-phthalimido-butyramide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)C(CCSC)N2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)[C@H](CCSC)N2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C21H22N2O3S/c1-3-14-7-6-8-15(13-14)22-19(24)18(11-12-27-2)23-20(25)16-9-4-5-10-17(16)21(23)26/h4-10,13,18H,3,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1