4-[[5-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-oxidanyl-methyl]-2-methylsulfanyl-phenol

Systemtic Name: 4-[[5-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]-oxidanyl-methyl]-2-methylsulfanyl-phenol Openeye Name: 4-[hydroxy-[5-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-2-methylsulfanyl-phenol CAS Name: 4-[hydroxy-[5-[2-(4-methoxyphenyl)ethyl]-2-pyrrolidinyl]methyl]-2-(methylthio)phenol IUPAC Name: 4-[hydroxy-[5-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-2-methylsulfanylphenol Traditional Name: 4-[hydroxy-[5-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-yl]methyl]-2-(methylthio)phenol Formula: C21H27NO3S MolecularWeight: 373.50898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC2CCC(N2)C(C3=CC(=C(C=C3)O)SC)O

Isomeric SMILES

COC1=CC=C(C=C1)CCC2CCC(N2)C(C3=CC(=C(C=C3)O)SC)O

InChI

InChI=1S/C21H27NO3S/c1-25-17-9-4-14(5-10-17)3-7-16-8-11-18(22-16)21(24)15-6-12-19(23)20(13-15)26-2/h4-6,9-10,12-13,16,18,21-24H,3,7-8,11H2,1-2H3