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

Systemtic Name: bis(2-methylsulfonylethyl) 9-methoxy-8-oxidanyl-1-thiophen-2-yl-2-[[3-(trifluoromethyloxy)phenyl]methyl]-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 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 bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 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 bis(2-mesylethyl) ester Formula: C32H32F3NO11S3 MolecularWeight: 759.78679

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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)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)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)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C32H32F3NO11S3/c1-44-27-17-23-21(16-26(27)37)15-24(30(38)45-9-12-49(2,40)41)25(31(39)46-10-13-50(3,42)43)19-36(29(23)28-8-5-11-48-28)18-20-6-4-7-22(14-20)47-32(33,34)35/h4-8,11,14-17,19,29,37H,9-10,12-13,18H2,1-3H3