(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C23H27NO4S MolecularWeight: 413.52978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C(=O)C)C)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C)C

InChI

InChI=1S/C23H27NO4S/c1-14-11-15(2)22(17(4)25)16(3)19(14)12-28-23(27)18-9-7-8-10-20(18)29-13-21(26)24(5)6/h7-11H,12-13H2,1-6H3