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

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(5-methylisoxazol-3-yl)methylsulfanyl]benzoate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]benzoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]benzoate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]benzoic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C18H21N3O5S MolecularWeight: 391.44144

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2=NOC(=C2)C

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)C1=CC=CC=C1SCC2=NOC(=C2)C

InChI

InChI=1S/C18H21N3O5S/c1-3-8-19-18(24)20-16(22)10-25-17(23)14-6-4-5-7-15(14)27-11-13-9-12(2)26-21-13/h4-7,9H,3,8,10-11H2,1-2H3,(H2,19,20,22,24)