2-methoxy-5-[7-(4-methylsulfanylphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol

Systemtic Name: 2-methoxy-5-[7-(4-methylsulfanylphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol Openeye Name: 2-methoxy-5-[7-(4-methylsulfanylphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol CAS Name: 2-methoxy-5-[7-[4-(methylthio)phenyl]-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol IUPAC Name: 2-methoxy-5-[7-(4-methylsulfanylphenyl)-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol Traditional Name: 2-methoxy-5-[7-[4-(methylthio)phenyl]-1,2,3,5,8,8a-hexahydroindolizin-6-yl]phenol Formula: C22H25NO2S MolecularWeight: 367.5044

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(CC3CCCN3C2)C4=CC=C(C=C4)SC)O

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(CC3CCCN3C2)C4=CC=C(C=C4)SC)O

InChI

InChI=1S/C22H25NO2S/c1-25-22-10-7-16(12-21(22)24)20-14-23-11-3-4-17(23)13-19(20)15-5-8-18(26-2)9-6-15/h5-10,12,17,24H,3-4,11,13-14H2,1-2H3