3-(4-methylsulfanylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC(=O)O)N2CC3=CC=CC=C3C2=O

InChI

InChI=1S/C18H17NO3S/c1-23-14-8-6-12(7-9-14)16(10-17(20)21)19-11-13-4-2-3-5-15(13)18(19)22/h2-9,16H,10-11H2,1H3,(H,20,21)