6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[1,3-benzothiazol-2-ylmethyl(methyl)amino]methyl]sesamol Formula: C17H16N2O3S MolecularWeight: 328.38554

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC2=C(C=C1O)OCO2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CN(CC1=CC2=C(C=C1O)OCO2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C17H16N2O3S/c1-19(9-17-18-12-4-2-3-5-16(12)23-17)8-11-6-14-15(7-13(11)20)22-10-21-14/h2-7,20H,8-10H2,1H3