methyl 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanoate

Systemtic Name: methyl 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanoate Openeye Name: methyl 7-[1-(p-tolylsulfanyl)isoindol-2-yl]heptanoate CAS Name: 7-[1-[(4-methylphenyl)thio]-2-isoindolyl]heptanoic acid methyl ester IUPAC Name: methyl 7-[1-(4-methylphenyl)sulfanylisoindol-2-yl]heptanoate Traditional Name: 7-[1-(p-tolylthio)isoindol-2-yl]enanthic acid methyl ester Formula: C23H27NO2S MolecularWeight: 381.53098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO2S/c1-18-12-14-20(15-13-18)27-23-21-10-7-6-9-19(21)17-24(23)16-8-4-3-5-11-22(25)26-2/h6-7,9-10,12-15,17H,3-5,8,11,16H2,1-2H3