bis(2-methylsulfonylethyl) 1-ethenyl-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate

Systemtic Name: bis(2-methylsulfonylethyl) 1-ethenyl-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 1-ethenyl-8-hydroxy-9-methoxy-2-[(5-nitro-2-furanyl)methyl]-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 1-ethenyl-8-hydroxy-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1-vinyl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C27H30N2O13S2 MolecularWeight: 654.6627

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=CN(C(C2=C1)C=C)CC3=CC=C(O3)[N+](=O)[O-])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)C=C)CC3=CC=C(O3)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C27H30N2O13S2/c1-5-22-19-14-24(39-2)23(30)13-17(19)12-20(26(31)40-8-10-43(3,35)36)21(27(32)41-9-11-44(4,37)38)16-28(22)15-18-6-7-25(42-18)29(33)34/h5-7,12-14,16,22,30H,1,8-11,15H2,2-4H3