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

Systemtic Name: 2-[2-[(2,5-dimethoxyphenyl)amino]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[2-(2,5-dimethoxyanilino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(1-piperidyl)ethanone CAS Name: 2-[2-(2,5-dimethoxyanilino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[2-(2,5-dimethoxyanilino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-piperidin-1-ylethanone Traditional Name: 2-[2-(2,5-dimethoxyanilino)-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-1-piperidino-ethanone Formula: C29H41N3O5S MolecularWeight: 543.71794

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCCCC4)N=C(S3)NC5=C(C=CC(=C5)OC)OC)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)N4CCCCC4)N=C(S3)NC5=C(C=CC(=C5)OC)OC)(C)CO)O

InChI

InChI=1S/C29H41N3O5S/c1-28-11-10-24(34)29(2,17-33)23(28)16-22-26(19(28)15-25(35)32-12-6-5-7-13-32)31-27(38-22)30-20-14-18(36-3)8-9-21(20)37-4/h8-9,14,19,23-24,33-34H,5-7,10-13,15-17H2,1-4H3,(H,30,31)