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

Systemtic Name: methyl 3-[[1-[(3,4-dimethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[2-(3,4-dimethoxyanilino)-1-methyl-2-oxo-ethyl]sulfanylmethyl]benzoate CAS Name: 3-[[[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[2-(3,4-dimethoxyanilino)-2-keto-1-methyl-ethyl]thio]methyl]benzoic acid methyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC(C(=O)NC1=CC(=C(C=C1)OC)OC)SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C20H23NO5S/c1-13(27-12-14-6-5-7-15(10-14)20(23)26-4)19(22)21-16-8-9-17(24-2)18(11-16)25-3/h5-11,13H,12H2,1-4H3,(H,21,22)