2-methyl-2-(naphtho[7,6-b][1]benzothiol-7-ylmethylamino)propane-1,3-diol

Systemtic Name: 2-methyl-2-(naphtho[7,6-b][1]benzothiol-7-ylmethylamino)propane-1,3-diol Openeye Name: 2-methyl-2-(naphtho[7,6-b]benzothiophen-7-ylmethylamino)propane-1,3-diol CAS Name: 2-methyl-2-(7-naphtho[7,6-b][1]benzothiolylmethylamino)propane-1,3-diol IUPAC Name: 2-methyl-2-(naphtho[7,6-b][1]benzothiol-7-ylmethylamino)propane-1,3-diol Traditional Name: 2-methyl-2-(naphtho[7,6-b]benzothiophen-7-ylmethylamino)propane-1,3-diol Formula: C21H21NO2S MolecularWeight: 351.46194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CO)(CO)NCC1=CC=CC2=CC3=C(C=C21)SC4=CC=CC=C43

Isomeric SMILES

CC(CO)(CO)NCC1=CC=CC2=CC3=C(C=C21)SC4=CC=CC=C43

InChI

InChI=1S/C21H21NO2S/c1-21(12-23,13-24)22-11-15-6-4-5-14-9-18-16-7-2-3-8-19(16)25-20(18)10-17(14)15/h2-10,22-24H,11-13H2,1H3