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

Systemtic Name: methyl 2-[2-[2-[2-[(2,4-dimethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoyloxy]ethanoylamino]benzoate Openeye Name: methyl 2-[[2-[2-[2-(2,4-dimethylanilino)-2-oxo-ethyl]sulfanylacetyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[2-[[2-(2,4-dimethylanilino)-2-oxoethyl]thio]-1-oxoethoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[2-[2-(2,4-dimethylanilino)-2-oxoethyl]sulfanylacetyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[2-[[2-(2,4-dimethylanilino)-2-keto-ethyl]thio]acetyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C22H24N2O6S MolecularWeight: 444.50076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)CSCC(=O)OCC(=O)NC2=CC=CC=C2C(=O)OC)C

InChI

InChI=1S/C22H24N2O6S/c1-14-8-9-17(15(2)10-14)23-20(26)12-31-13-21(27)30-11-19(25)24-18-7-5-4-6-16(18)22(28)29-3/h4-10H,11-13H2,1-3H3,(H,23,26)(H,24,25)