2-[2-[(4-fluorophenyl)amino]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)ethanamide

Systemtic Name: 2-[2-[(4-fluorophenyl)amino]-8-(hydroxymethyl)-4a,8-dimethyl-7-oxidanyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)ethanamide Openeye Name: 2-[2-(4-fluoroanilino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-thienylmethyl)acetamide CAS Name: 2-[2-(4-fluoroanilino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide IUPAC Name: 2-[2-(4-fluoroanilino)-7-hydroxy-8-(hydroxymethyl)-4a,8-dimethyl-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(thiophen-2-ylmethyl)acetamide Traditional Name: 2-[2-(4-fluoroanilino)-7-hydroxy-4a,8-dimethyl-8-methylol-4,5,6,7,8a,9-hexahydrobenzo[f][1,3]benzothiazol-4-yl]-N-(2-thenyl)acetamide Formula: C27H32FN3O3S2 MolecularWeight: 529.689683

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CS4)N=C(S3)NC5=CC=C(C=C5)F)(C)CO)O

Isomeric SMILES

CC12CCC(C(C1CC3=C(C2CC(=O)NCC4=CC=CS4)N=C(S3)NC5=CC=C(C=C5)F)(C)CO)O

InChI

InChI=1S/C27H32FN3O3S2/c1-26-10-9-22(33)27(2,15-32)21(26)13-20-24(19(26)12-23(34)29-14-18-4-3-11-35-18)31-25(36-20)30-17-7-5-16(28)6-8-17/h3-8,11,19,21-22,32-33H,9-10,12-15H2,1-2H3,(H,29,34)(H,30,31)