(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]acetic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]acetic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)CSCC(=O)NC2=NOC(=C2)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)CSCC(=O)NC2=NOC(=C2)C)C)C(C)(C)C

InChI

InChI=1S/C21H28N2O4S/c1-13-7-16(21(4,5)6)8-14(2)17(13)10-26-20(25)12-28-11-19(24)22-18-9-15(3)27-23-18/h7-9H,10-12H2,1-6H3,(H,22,23,24)