(3S)-3-(4-methylsulfanylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate

Systemtic Name: (3S)-3-(4-methylsulfanylphenyl)-3-(3-oxidanylidene-1H-isoindol-2-yl)propanoate Openeye Name: (3S)-3-(4-methylsulfanylphenyl)-3-(1-oxoisoindolin-2-yl)propanoate CAS Name: (3S)-3-[4-(methylthio)phenyl]-3-(3-oxo-1H-isoindol-2-yl)propanoate IUPAC Name: (3S)-3-(4-methylsulfanylphenyl)-3-(3-oxo-1H-isoindol-2-yl)propanoate Traditional Name: (3S)-3-(1-ketoisoindolin-2-yl)-3-[4-(methylthio)phenyl]propionate Formula: C18H16NO3S- MolecularWeight: 326.38954

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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@H](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)/p-1/t16-/m0/s1