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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]acetate CAS Name: 2-[(3,5-dimethyl-4-isoxazolyl)methylthio]acetic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetate Traditional Name: 2-[(3,5-dimethylisoxazol-4-yl)methylthio]acetic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H20N2O4S MolecularWeight: 300.3739

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)NC(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSCC(=O)OCC(=O)NC(C)C

InChI

InChI=1S/C13H20N2O4S/c1-8(2)14-12(16)5-18-13(17)7-20-6-11-9(3)15-19-10(11)4/h8H,5-7H2,1-4H3,(H,14,16)