[4-[acetyloxy-(3-oxidanylidenethiomorpholin-2-yl)methyl]-2-tert-butyl-6-(dimethylaminomethyl)phenyl] ethanoate

Systemtic Name: [4-[acetyloxy-(3-oxidanylidenethiomorpholin-2-yl)methyl]-2-tert-butyl-6-(dimethylaminomethyl)phenyl] ethanoate Openeye Name: [4-[acetoxy-(3-oxothiomorpholin-2-yl)methyl]-2-tert-butyl-6-(dimethylaminomethyl)phenyl] acetate CAS Name: acetic acid [4-[acetyloxy-(3-oxo-2-thiomorpholinyl)methyl]-2-tert-butyl-6-(dimethylaminomethyl)phenyl] ester IUPAC Name: [4-[acetyloxy-(3-oxothiomorpholin-2-yl)methyl]-2-tert-butyl-6-(dimethylaminomethyl)phenyl] acetate Traditional Name: acetic acid [4-[acetoxy-(3-ketothiomorpholin-2-yl)methyl]-2-tert-butyl-6-(dimethylaminomethyl)phenyl] ester Formula: C22H32N2O5S MolecularWeight: 436.56488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)C(C2C(=O)NCCS2)OC(=O)C)CN(C)C

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1C(C)(C)C)C(C2C(=O)NCCS2)OC(=O)C)CN(C)C

InChI

InChI=1S/C22H32N2O5S/c1-13(25)28-18-16(12-24(6)7)10-15(11-17(18)22(3,4)5)19(29-14(2)26)20-21(27)23-8-9-30-20/h10-11,19-20H,8-9,12H2,1-7H3,(H,23,27)