2-[8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-morpholin-4-yl-ethanone Openeye Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-morpholino-ethanone CAS Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-2-(methylamino)-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-morpholin-4-ylethanone Traditional Name: 2-[7-hydroxy-4a,8-dimethyl-2-(methylamino)-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-morpholino-ethanone Formula: C21H33N3O4S MolecularWeight: 423.56942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCOCC4)N=C(S3)NC)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCOCC4)N=C(S3)NC)(C)CO)O

InChI

InChI=1S/C21H33N3O4S/c1-20-5-4-16(26)21(2,12-25)15(20)11-14-18(23-19(22-3)29-14)13(20)10-17(27)24-6-8-28-9-7-24/h13,15-16,25-26H,4-12H2,1-3H3,(H,22,23)