[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C25H23N3O6S MolecularWeight: 493.53162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O6S/c29-25(32-14-22-26-27-24(34-22)16-10-12-17(13-11-16)28(30)31)23-20(15-35-18-6-2-1-3-7-18)19-8-4-5-9-21(19)33-23/h4-5,8-13,18H,1-3,6-7,14-15H2