[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC(C)C(=O)NC(C)(C)C

Isomeric SMILES

CC1=C(C(=NO1)C)CSC2=CC=CC=C2C(=O)OC(C)C(=O)NC(C)(C)C

InChI

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