1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone

Systemtic Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanyl-ethanone Openeye Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(p-tolylsulfanyl)ethanone CAS Name: 1-[2-(2,5-dimethoxyphenyl)-1-pyrrolidinyl]-2-[(4-methylphenyl)thio]ethanone IUPAC Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]-2-(4-methylphenyl)sulfanylethanone Traditional Name: 1-[2-(2,5-dimethoxyphenyl)pyrrolidino]-2-(p-tolylthio)ethanone Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-15-6-9-17(10-7-15)26-14-21(23)22-12-4-5-19(22)18-13-16(24-2)8-11-20(18)25-3/h6-11,13,19H,4-5,12,14H2,1-3H3