2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone Openeye Name: 2-indan-5-ylsulfanyl-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1H-inden-5-ylthio)-1-[2-(3-methoxyphenyl)-1-pyrrolidinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1H-inden-5-ylsulfanyl)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone Traditional Name: 2-(indan-5-ylthio)-1-[2-(3-methoxyphenyl)pyrrolidino]ethanone Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2CCCN2C(=O)CSC3=CC4=C(CCC4)C=C3

Isomeric SMILES

COC1=CC=CC(=C1)C2CCCN2C(=O)CSC3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H25NO2S/c1-25-19-8-3-7-18(13-19)21-9-4-12-23(21)22(24)15-26-20-11-10-16-5-2-6-17(16)14-20/h3,7-8,10-11,13-14,21H,2,4-6,9,12,15H2,1H3