(2S)-4-methylsulfanyl-2-[2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoylamino]butanoate

Systemtic Name: (2S)-4-methylsulfanyl-2-[2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoylamino]butanoate Openeye Name: (2S)-4-methylsulfanyl-2-[[2-(1-oxoisoindolin-2-yl)acetyl]amino]butanoate CAS Name: (2S)-4-(methylthio)-2-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)ethyl]amino]butanoate IUPAC Name: (2S)-4-methylsulfanyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]butanoate Traditional Name: (2S)-2-[[2-(1-ketoisoindolin-2-yl)acetyl]amino]-4-(methylthio)butyrate Formula: C15H17N2O4S- MolecularWeight: 321.37148

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)[O-])NC(=O)CN1CC2=CC=CC=C2C1=O

Isomeric SMILES

CSCC[C@@H](C(=O)[O-])NC(=O)CN1CC2=CC=CC=C2C1=O

InChI

InChI=1S/C15H18N2O4S/c1-22-7-6-12(15(20)21)16-13(18)9-17-8-10-4-2-3-5-11(10)14(17)19/h2-5,12H,6-9H2,1H3,(H,16,18)(H,20,21)/p-1/t12-/m0/s1