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

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

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

Canonical SMILES:

CSC1=CC=CC2=C1C(=O)N(C2)C(CC3CCCCC3)C(=O)O


Isomeric SMILES

CSC1=CC=CC2=C1C(=O)N(C2)C(CC3CCCCC3)C(=O)O


InChI

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


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