7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanoic acid

Systemtic Name: 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanoic acid Openeye Name: 7-[1-(p-tolylsulfanyl)isoindol-2-yl]heptanoic acid CAS Name: 7-[1-[(4-methylphenyl)thio]-2-isoindolyl]heptanoic acid IUPAC Name: 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanoic acid Traditional Name: 7-[1-(p-tolylthio)isoindol-2-yl]enanthic acid Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C3C=CC=CC3=CN2CCCCCCC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C3C=CC=CC3=CN2CCCCCCC(=O)O

InChI

InChI=1S/C22H25NO2S/c1-17-11-13-19(14-12-17)26-22-20-9-6-5-8-18(20)16-23(22)15-7-3-2-4-10-21(24)25/h5-6,8-9,11-14,16H,2-4,7,10,15H2,1H3,(H,24,25)