3-cyclohexyl-2-(7-methylsulfanyl-3-oxidanylidene-1H-isoindol-2-yl)propanoic acid

Systemtic Name: 3-cyclohexyl-2-(7-methylsulfanyl-3-oxidanylidene-1H-isoindol-2-yl)propanoic acid Openeye Name: 3-cyclohexyl-2-(4-methylsulfanyl-1-oxo-isoindolin-2-yl)propanoic acid CAS Name: 3-cyclohexyl-2-[7-(methylthio)-3-oxo-1H-isoindol-2-yl]propanoic acid IUPAC Name: 3-cyclohexyl-2-(7-methylsulfanyl-3-oxo-1H-isoindol-2-yl)propanoic acid Traditional Name: 3-cyclohexyl-2-[1-keto-4-(methylthio)isoindolin-2-yl]propionic acid Formula: C18H23NO3S MolecularWeight: 333.44512

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)O

Isomeric SMILES

CSC1=CC=CC2=C1CN(C2=O)C(CC3CCCCC3)C(=O)O

InChI

InChI=1S/C18H23NO3S/c1-23-16-9-5-8-13-14(16)11-19(17(13)20)15(18(21)22)10-12-6-3-2-4-7-12/h5,8-9,12,15H,2-4,6-7,10-11H2,1H3,(H,21,22)