(5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 2-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfanylbenzoate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 2-[2-(dimethylamino)-2-oxo-ethyl]sulfanylbenzoate CAS Name: 2-[[2-(dimethylamino)-2-oxoethyl]thio]benzoic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 2-[2-(dimethylamino)-2-oxoethyl]sulfanylbenzoate Traditional Name: 2-[[2-(dimethylamino)-2-keto-ethyl]thio]benzoic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2=CC=CC=C2SCC(=O)N(C)C

InChI

InChI=1S/C21H23NO5S/c1-14(23)15-9-10-18(26-4)16(11-15)12-27-21(25)17-7-5-6-8-19(17)28-13-20(24)22(2)3/h5-11H,12-13H2,1-4H3