2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[2-(3,4-dimethoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[2-(3,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[2-(3,4-dimethoxyphenyl)pyrrolidino]ethanone Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSC3=CC4=C(C=C3)OCCO4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2CCCN2C(=O)CSC3=CC4=C(C=C3)OCCO4)OC

InChI

InChI=1S/C22H25NO5S/c1-25-18-7-5-15(12-20(18)26-2)17-4-3-9-23(17)22(24)14-29-16-6-8-19-21(13-16)28-11-10-27-19/h5-8,12-13,17H,3-4,9-11,14H2,1-2H3