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

Systemtic Name: propyl 4-[[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]phenyl]carbonylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-3-12-27-21(26)15-8-10-16(11-9-15)23-20(25)17-6-4-5-7-18(17)29-13-19-22-14(2)24-28-19/h4-11H,3,12-13H2,1-2H3,(H,23,25)