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

Systemtic Name: dimethyl 9-methoxy-2-[(5-nitrofuran-2-yl)methyl]-8-oxidanyl-1-thiophen-2-yl-1H-2-benzazocine-4,5-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 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 dimethyl ester Formula: C25H22N2O9S MolecularWeight: 526.51518

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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)OC)C(=O)OC)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)OC)C(=O)OC)O

InChI

InChI=1S/C25H22N2O9S/c1-33-20-11-16-14(10-19(20)28)9-17(24(29)34-2)18(25(30)35-3)13-26(23(16)21-5-4-8-37-21)12-15-6-7-22(36-15)27(31)32/h4-11,13,23,28H,12H2,1-3H3