[2-(butylamino)-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate

Systemtic Name: [2-(butylamino)-2-oxidanylidene-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-(butylamino)-2-oxo-ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate CAS Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-(butylamino)-2-oxoethyl] ester IUPAC Name: [2-(butylamino)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylthio]benzoic acid [2-(butylamino)-2-keto-ethyl] ester Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)COC(=O)C1=CC=CC=C1SCC2=NC(=NO2)C

Isomeric SMILES

CCCCNC(=O)COC(=O)C1=CC=CC=C1SCC2=NC(=NO2)C

InChI

InChI=1S/C17H21N3O4S/c1-3-4-9-18-15(21)10-23-17(22)13-7-5-6-8-14(13)25-11-16-19-12(2)20-24-16/h5-8H,3-4,9-11H2,1-2H3,(H,18,21)