(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(cyclohexylcarbonylamino)-4,5-dimethoxy-benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoate CAS Name: 2-[[cyclohexyl(oxo)methyl]amino]-4,5-dimethoxybenzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(cyclohexanecarbonylamino)-4,5-dimethoxybenzoate Traditional Name: 2-(cyclohexanecarbonylamino)-4,5-dimethoxy-benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C23H25N3O6S MolecularWeight: 471.5261

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)NC(=O)C4CCCCC4)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OCC2=NC(=NO2)C3=CSC=C3)NC(=O)C4CCCCC4)OC

InChI

InChI=1S/C23H25N3O6S/c1-29-18-10-16(17(11-19(18)30-2)24-22(27)14-6-4-3-5-7-14)23(28)31-12-20-25-21(26-32-20)15-8-9-33-13-15/h8-11,13-14H,3-7,12H2,1-2H3,(H,24,27)