dimethyl 9-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 9-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 9-hydroxy-1-(2-thienyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 9-hydroxy-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 9-hydroxy-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 9-hydroxy-1-(2-thienyl)-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H22F3NO6S MolecularWeight: 545.52689

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC(=CC=C3)OC(F)(F)F)C4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC(=CC=C3)OC(F)(F)F)C4=CC=CS4

InChI

InChI=1S/C27H22F3NO6S/c1-35-25(33)21-12-17-8-9-18(32)13-20(17)24(23-7-4-10-38-23)31(15-22(21)26(34)36-2)14-16-5-3-6-19(11-16)37-27(28,29)30/h3-13,15,24,32H,14H2,1-2H3