6-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[(5-methylthiophen-2-yl)methyl-phenethyl-amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[(5-methyl-2-thiophenyl)methyl-phenethylamino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[(5-methylthiophen-2-yl)methyl-phenethylamino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[(5-methyl-2-thienyl)methyl-phenethyl-amino]methyl]sesamol Formula: C22H23NO3S MolecularWeight: 381.48792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=CC=C(S1)CN(CCC2=CC=CC=C2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C22H23NO3S/c1-16-7-8-19(27-16)14-23(10-9-17-5-3-2-4-6-17)13-18-11-21-22(12-20(18)24)26-15-25-21/h2-8,11-12,24H,9-10,13-15H2,1H3