2-methylsulfanyl-2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoic acid

Systemtic Name: 2-methylsulfanyl-2-[4-(3-oxidanylidene-1H-isoindol-2-yl)phenyl]propanoic acid Openeye Name: 2-methylsulfanyl-2-[4-(1-oxoisoindolin-2-yl)phenyl]propanoic acid CAS Name: 2-(methylthio)-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid IUPAC Name: 2-methylsulfanyl-2-[4-(3-oxo-1H-isoindol-2-yl)phenyl]propanoic acid Traditional Name: 2-[4-(1-ketoisoindolin-2-yl)phenyl]-2-(methylthio)propionic acid Formula: C18H17NO3S MolecularWeight: 327.39748

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)(C(=O)O)SC

Isomeric SMILES

CC(C1=CC=C(C=C1)N2CC3=CC=CC=C3C2=O)(C(=O)O)SC

InChI

InChI=1S/C18H17NO3S/c1-18(23-2,17(21)22)13-7-9-14(10-8-13)19-11-12-5-3-4-6-15(12)16(19)20/h3-10H,11H2,1-2H3,(H,21,22)