7-[5-(2-chloroethyloxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile

Systemtic Name: 7-[5-(2-chloroethyloxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanyl-heptanenitrile Openeye Name: 7-[5-(2-chloroethoxy)-6-methoxy-isoindolin-2-yl]-2-(3,4-dimethoxyphenyl)-2-(p-tolylsulfanyl)heptanenitrile CAS Name: 7-[5-(2-chloroethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-[(4-methylphenyl)thio]heptanenitrile IUPAC Name: 7-[5-(2-chloroethoxy)-6-methoxy-1,3-dihydroisoindol-2-yl]-2-(3,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfanylheptanenitrile Traditional Name: 7-[5-(2-chloroethoxy)-6-methoxy-isoindolin-2-yl]-2-(3,4-dimethoxyphenyl)-2-(p-tolylthio)enanthonitrile Formula: C33H39ClN2O4S MolecularWeight: 595.19176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)OCCCl)OC)(C#N)C4=CC(=C(C=C4)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)SC(CCCCCN2CC3=CC(=C(C=C3C2)OCCCl)OC)(C#N)C4=CC(=C(C=C4)OC)OC

InChI

InChI=1S/C33H39ClN2O4S/c1-24-8-11-28(12-9-24)41-33(23-35,27-10-13-29(37-2)31(20-27)39-4)14-6-5-7-16-36-21-25-18-30(38-3)32(40-17-15-34)19-26(25)22-36/h8-13,18-20H,5-7,14-17,21-22H2,1-4H3