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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzoate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]benzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1SCC2=C(ON=C2C)C

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC=CC=C1SCC2=C(ON=C2C)C

InChI

InChI=1S/C20H26N2O4S/c1-5-15(6-2)21-19(23)11-25-20(24)16-9-7-8-10-18(16)27-12-17-13(3)22-26-14(17)4/h7-10,15H,5-6,11-12H2,1-4H3,(H,21,23)