[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfinylmethyl)benzoate

Systemtic Name: [1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(methylsulfinylmethyl)benzoate Openeye Name: [2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl] 3-(methylsulfinylmethyl)benzoate CAS Name: 3-(methylsulfinylmethyl)benzoic acid [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 3-(methylsulfinylmethyl)benzoate Traditional Name: 3-(methylsulfinylmethyl)benzoic acid [2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H23NO6S MolecularWeight: 405.46472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CC=C2)CS(=O)C

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)OC(=O)C2=CC(=CC=C2)CS(=O)C

InChI

InChI=1S/C20H23NO6S/c1-13(19(22)21-16-8-9-17(25-2)18(11-16)26-3)27-20(23)15-7-5-6-14(10-15)12-28(4)24/h5-11,13H,12H2,1-4H3,(H,21,22)