6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[methyl-[[4-(methylthio)phenyl]methyl]amino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[methyl-[(4-methylsulfanylphenyl)methyl]amino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[methyl-[4-(methylthio)benzyl]amino]methyl]sesamol Formula: C17H19NO3S MolecularWeight: 317.40266

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(C=C1)SC)CC2=CC3=C(C=C2O)OCO3

Isomeric SMILES

CN(CC1=CC=C(C=C1)SC)CC2=CC3=C(C=C2O)OCO3

InChI

InChI=1S/C17H19NO3S/c1-18(9-12-3-5-14(22-2)6-4-12)10-13-7-16-17(8-15(13)19)21-11-20-16/h3-8,19H,9-11H2,1-2H3