3,3-dimethyl-6-propyl-2-(2-pyridin-2-ylsulfanylethyl)-2H-1-benzofuran-5-ol

Systemtic Name: 3,3-dimethyl-6-propyl-2-(2-pyridin-2-ylsulfanylethyl)-2H-1-benzofuran-5-ol Openeye Name: 3,3-dimethyl-6-propyl-2-[2-(2-pyridylsulfanyl)ethyl]-2H-benzofuran-5-ol CAS Name: 3,3-dimethyl-6-propyl-2-[2-(2-pyridinylthio)ethyl]-2H-benzofuran-5-ol IUPAC Name: 3,3-dimethyl-6-propyl-2-(2-pyridin-2-ylsulfanylethyl)-2H-1-benzofuran-5-ol Traditional Name: 3,3-dimethyl-6-propyl-2-[2-(2-pyridylthio)ethyl]coumaran-5-ol Formula: C20H25NO2S MolecularWeight: 343.483

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCSC3=CC=CC=N3)O

Isomeric SMILES

CCCC1=C(C=C2C(=C1)OC(C2(C)C)CCSC3=CC=CC=N3)O

InChI

InChI=1S/C20H25NO2S/c1-4-7-14-12-17-15(13-16(14)22)20(2,3)18(23-17)9-11-24-19-8-5-6-10-21-19/h5-6,8,10,12-13,18,22H,4,7,9,11H2,1-3H3