(3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-[2-(1,2-oxazol-3-ylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-[2-(isoxazol-3-ylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(3-isoxazolylamino)-2-oxoethyl]thio]benzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(isoxazol-3-ylamino)-2-keto-ethyl]thio]benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C18H20N2O5S MolecularWeight: 376.4268

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=NOC=C2

Isomeric SMILES

CC(C)(C)C(=O)COC(=O)C1=CC=CC=C1SCC(=O)NC2=NOC=C2

InChI

InChI=1S/C18H20N2O5S/c1-18(2,3)14(21)10-24-17(23)12-6-4-5-7-13(12)26-11-16(22)19-15-8-9-25-20-15/h4-9H,10-11H2,1-3H3,(H,19,20,22)