dimethyl 9-methoxy-8-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 9-methoxy-8-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 8-hydroxy-9-methoxy-1-(2-thienyl)-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 8-hydroxy-9-methoxy-1-thiophen-2-yl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-1-(2-thienyl)-2-[3-(trifluoromethoxy)benzyl]-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C28H24F3NO7S MolecularWeight: 575.55287

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=CS3)CC4=CC(=CC=C4)OC(F)(F)F)C(=O)OC)C(=O)OC)O

Isomeric SMILES

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C3=CC=CS3)CC4=CC(=CC=C4)OC(F)(F)F)C(=O)OC)C(=O)OC)O

InChI

InChI=1S/C28H24F3NO7S/c1-36-23-13-19-17(12-22(23)33)11-20(26(34)37-2)21(27(35)38-3)15-32(25(19)24-8-5-9-40-24)14-16-6-4-7-18(10-16)39-28(29,30)31/h4-13,15,25,33H,14H2,1-3H3