dimethyl 4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2H-azocine-6,7-dicarboxylate CAS Name: 4-[4-(hydroxymethyl)phenyl]-1-[(5-nitro-2-furanyl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-[4-(hydroxymethyl)phenyl]-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(4-methylolphenyl)-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C27H24N2O8S MolecularWeight: 536.55306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CS3)C4=CC=C(C=C4)CO

Isomeric SMILES

COC(=O)C1=CC(=CC(N(C=C1C(=O)OC)CC2=CC=C(O2)[N+](=O)[O-])C3=CC=CS3)C4=CC=C(C=C4)CO

InChI

InChI=1S/C27H24N2O8S/c1-35-26(31)21-12-19(18-7-5-17(16-30)6-8-18)13-23(24-4-3-11-38-24)28(15-22(21)27(32)36-2)14-20-9-10-25(37-20)29(33)34/h3-13,15,23,30H,14,16H2,1-2H3