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

Systemtic Name: bis(2-methylsulfonylethyl) 9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylate CAS Name: 8-hydroxy-9-methoxy-2-[(5-nitro-2-furanyl)methyl]-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-methylsulfonylethyl) ester IUPAC Name: bis(2-methylsulfonylethyl) 8-hydroxy-9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Traditional Name: 8-hydroxy-9-methoxy-2-[(5-nitro-2-furyl)methyl]-1-(2-thienyl)-1H-2-benzazocine-4,5-dicarboxylic acid bis(2-mesylethyl) ester Formula: C29H30N2O13S3 MolecularWeight: 710.7491

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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=C(O4)[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)C3=CC=CS3)CC4=CC=C(O4)[N+](=O)[O-])C(=O)OCCS(=O)(=O)C)C(=O)OCCS(=O)(=O)C)O

InChI

InChI=1S/C29H30N2O13S3/c1-41-24-15-20-18(14-23(24)32)13-21(28(33)42-8-11-46(2,37)38)22(29(34)43-9-12-47(3,39)40)17-30(27(20)25-5-4-10-45-25)16-19-6-7-26(44-19)31(35)36/h4-7,10,13-15,17,27,32H,8-9,11-12,16H2,1-3H3