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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate Openeye Name: [2-(1-ethylpropylamino)-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-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 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-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N3O4S/c1-4-13(5-2)20-16(22)10-24-18(23)14-8-6-7-9-15(14)26-11-17-19-12(3)21-25-17/h6-9,13H,4-5,10-11H2,1-3H3,(H,20,22)