(4,5-dimethoxy-2-methyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO5S/c1-14-10-17(25-4)18(26-5)11-15(14)12-27-21(24)16-8-6-7-9-19(16)28-13-20(23)22(2)3/h6-11H,12-13H2,1-5H3