dimethyl 1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate

Systemtic Name: dimethyl 1-[(5-nitrofuran-2-yl)methyl]-4-(3-oxidanylpropyl)-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Openeye Name: dimethyl 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2H-azocine-6,7-dicarboxylate CAS Name: 4-(3-hydroxypropyl)-1-[(5-nitro-2-furanyl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 4-(3-hydroxypropyl)-1-[(5-nitrofuran-2-yl)methyl]-2-thiophen-2-yl-2H-azocine-6,7-dicarboxylate Traditional Name: 4-(3-hydroxypropyl)-1-[(5-nitro-2-furyl)methyl]-2-(2-thienyl)-2H-azocine-6,7-dicarboxylic acid dimethyl ester Formula: C23H24N2O8S MolecularWeight: 488.51026

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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)CCCO

Isomeric SMILES

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

InChI

InChI=1S/C23H24N2O8S/c1-31-22(27)17-11-15(5-3-9-26)12-19(20-6-4-10-34-20)24(14-18(17)23(28)32-2)13-16-7-8-21(33-16)25(29)30/h4,6-8,10-12,14,19,26H,3,5,9,13H2,1-2H3