6-(3-methoxy-4-oxidanyl-phenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one

Systemtic Name: 6-(3-methoxy-4-oxidanyl-phenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one Openeye Name: 6-(4-hydroxy-3-methoxy-phenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one CAS Name: 6-(4-hydroxy-3-methoxyphenyl)-7-[4-(methylthio)phenyl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one IUPAC Name: 6-(4-hydroxy-3-methoxyphenyl)-7-(4-methylsulfanylphenyl)-2,3,8,8a-tetrahydro-1H-indolizin-5-one Traditional Name: 6-(4-hydroxy-3-methoxy-phenyl)-7-[4-(methylthio)phenyl]-2,3,8,8a-tetrahydro-1H-indolizin-5-one Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23NO3S/c1-26-20-12-15(7-10-19(20)24)21-18(14-5-8-17(27-2)9-6-14)13-16-4-3-11-23(16)22(21)25/h5-10,12,16,24H,3-4,11,13H2,1-2H3