[2-oxidanylidene-2-(pentylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate

Systemtic Name: [2-oxidanylidene-2-(pentylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(pentylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-oxo-2-(pentylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-(amylamino)-2-keto-ethyl] ester Formula: C19H24N2O4S MolecularWeight: 376.46986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCNC(=O)COC(=O)C1=CC=CC=C1SCC2=NOC(=C2)C

Isomeric SMILES

CCCCCNC(=O)COC(=O)C1=CC=CC=C1SCC2=NOC(=C2)C

InChI

InChI=1S/C19H24N2O4S/c1-3-4-7-10-20-18(22)12-24-19(23)16-8-5-6-9-17(16)26-13-15-11-14(2)25-21-15/h5-6,8-9,11H,3-4,7,10,12-13H2,1-2H3,(H,20,22)