2-(4,5-dimethoxy-1,2,3-benzotrithiol-7-yl)ethanamine

Systemtic Name: 2-(4,5-dimethoxy-1,2,3-benzotrithiol-7-yl)ethanamine Openeye Name: 2-(4,5-dimethoxy-1,2,3-benzotrithiol-7-yl)ethanamine CAS Name: 2-(4,5-dimethoxy-1,2,3-benzotrithiol-7-yl)ethanamine IUPAC Name: 2-(4,5-dimethoxy-1,2,3-benzotrithiol-7-yl)ethanamine Traditional Name: 2-(4,5-dimethoxy-1,2,3-benzotrithiol-7-yl)ethylamine Formula: C10H13NO2S3 MolecularWeight: 275.41072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C(=C1)CCN)SSS2)OC

Isomeric SMILES

COC1=C(C2=C(C(=C1)CCN)SSS2)OC

InChI

InChI=1S/C10H13NO2S3/c1-12-7-5-6(3-4-11)9-10(8(7)13-2)15-16-14-9/h5H,3-4,11H2,1-2H3