butyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]carbonylamino]benzoate

Systemtic Name: butyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]carbonylamino]benzoate Openeye Name: butyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzoate CAS Name: 4-[[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]phenyl]-oxomethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoyl]amino]benzoate Traditional Name: 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoyl]amino]benzoic acid butyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2SCC3=NC(=NO3)C

InChI

InChI=1S/C22H23N3O4S/c1-3-4-13-28-22(27)16-9-11-17(12-10-16)24-21(26)18-7-5-6-8-19(18)30-14-20-23-15(2)25-29-20/h5-12H,3-4,13-14H2,1-2H3,(H,24,26)