dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: dimethyl 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-9-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-9-hydroxy-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid dimethyl ester Formula: C27H22BrNO7S MolecularWeight: 584.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC4=C(C=C3Br)OCO4)C5=CC=CS5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C(C=C2)O)C(N(C=C1C(=O)OC)CC3=CC4=C(C=C3Br)OCO4)C5=CC=CS5

InChI

InChI=1S/C27H22BrNO7S/c1-33-26(31)19-8-15-5-6-17(30)10-18(15)25(24-4-3-7-37-24)29(13-20(19)27(32)34-2)12-16-9-22-23(11-21(16)28)36-14-35-22/h3-11,13,25,30H,12,14H2,1-2H3