(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 2-[2-(2-furylmethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(2-furanylmethylamino)-2-oxoethyl]thio]benzoic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-[2-(furan-2-ylmethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(2-furfurylamino)-2-keto-ethyl]thio]benzoic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2SCC(=O)NCC3=CC=CO3

InChI

InChI=1S/C20H20N2O5S/c1-13-17(14(2)27-22-13)11-26-20(24)16-7-3-4-8-18(16)28-12-19(23)21-10-15-6-5-9-25-15/h3-9H,10-12H2,1-2H3,(H,21,23)