1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(m-tolylmethylsulfanyl)ethanone CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(3-methylphenyl)methylthio]ethanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-[(3-methylphenyl)methylsulfanyl]ethanone Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-[(3-methylbenzyl)thio]ethanone Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CSCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)CSCC(=O)N2CCCC2C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C22H27NO3S/c1-16-6-4-7-17(12-16)14-27-15-22(24)23-11-5-8-20(23)19-13-18(25-2)9-10-21(19)26-3/h4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1-3H3