methyl 4-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyloxymethyl]benzoate

Systemtic Name: methyl 4-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyloxymethyl]benzoate Openeye Name: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetyl]oxymethyl]benzoate CAS Name: 4-[[2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1-oxoethoxy]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxymethyl]benzoate Traditional Name: 4-[[2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetyl]oxymethyl]benzoic acid methyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C21H23NO5S/c1-14-4-9-18(15(2)10-14)22-19(23)12-28-13-20(24)27-11-16-5-7-17(8-6-16)21(25)26-3/h4-10H,11-13H2,1-3H3,(H,22,23)