4-methylsulfanyl-2-[2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoylamino]butanoic acid

Systemtic Name: 4-methylsulfanyl-2-[2-(3-oxidanylidene-1H-isoindol-2-yl)ethanoylamino]butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(1-oxoisoindolin-2-yl)acetyl]amino]butanoic acid CAS Name: 4-(methylthio)-2-[[1-oxo-2-(3-oxo-1H-isoindol-2-yl)ethyl]amino]butanoic acid IUPAC Name: 4-methylsulfanyl-2-[[2-(3-oxo-1H-isoindol-2-yl)acetyl]amino]butanoic acid Traditional Name: 2-[[2-(1-ketoisoindolin-2-yl)acetyl]amino]-4-(methylthio)butyric acid Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)O)NC(=O)CN1CC2=CC=CC=C2C1=O

Isomeric SMILES

CSCCC(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)