2-(benzo[e][1]benzothiol-2-ylmethylamino)-2-methyl-propane-1,3-diol

Systemtic Name: 2-(benzo[e][1]benzothiol-2-ylmethylamino)-2-methyl-propane-1,3-diol Openeye Name: 2-(benzo[e]benzothiophen-2-ylmethylamino)-2-methyl-propane-1,3-diol CAS Name: 2-(2-benzo[e][1]benzothiolylmethylamino)-2-methylpropane-1,3-diol IUPAC Name: 2-(benzo[e][1]benzothiol-2-ylmethylamino)-2-methylpropane-1,3-diol Traditional Name: 2-(benzo[e]benzothiophen-2-ylmethylamino)-2-methyl-propane-1,3-diol Formula: C17H19NO2S MolecularWeight: 301.40326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(S1)C=CC3=CC=CC=C32

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(S1)C=CC3=CC=CC=C32

InChI

InChI=1S/C17H19NO2S/c1-17(10-19,11-20)18-9-13-8-15-14-5-3-2-4-12(14)6-7-16(15)21-13/h2-8,18-20H,9-11H2,1H3