(4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C24H31NO3S MolecularWeight: 413.57284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2SCC(=O)N(C)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2=CC=CC=C2SCC(=O)N(C)C)C)C(C)(C)C

InChI

InChI=1S/C24H31NO3S/c1-16-12-18(24(3,4)5)13-17(2)20(16)14-28-23(27)19-10-8-9-11-21(19)29-15-22(26)25(6)7/h8-13H,14-15H2,1-7H3