2-(benzo[e][1]benzothiol-5-ylmethylamino)-2-methyl-propane-1,3-diol

Systemtic Name: 2-(benzo[e][1]benzothiol-5-ylmethylamino)-2-methyl-propane-1,3-diol Openeye Name: 2-(benzo[e]benzothiophen-5-ylmethylamino)-2-methyl-propane-1,3-diol CAS Name: 2-(5-benzo[e][1]benzothiolylmethylamino)-2-methylpropane-1,3-diol IUPAC Name: 2-(benzo[e][1]benzothiol-5-ylmethylamino)-2-methylpropane-1,3-diol Traditional Name: 2-(benzo[e]benzothiophen-5-ylmethylamino)-2-methyl-propane-1,3-diol Formula: C17H19NO2S MolecularWeight: 301.40326

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Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC2=C(C=CS2)C3=CC=CC=C31

Isomeric SMILES

CC(CO)(CO)NCC1=CC2=C(C=CS2)C3=CC=CC=C31

InChI

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