methyl 2-[2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate

Systemtic Name: methyl 2-[2-[4-(4-methylsulfanylphenyl)-4-oxidanylidene-butanoyl]oxyethanoylamino]benzoate Openeye Name: methyl 2-[[2-[4-(4-methylsulfanylphenyl)-4-oxo-butanoyl]oxyacetyl]amino]benzoate CAS Name: 2-[[2-[4-[4-(methylthio)phenyl]-1,4-dioxobutoxy]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[4-(4-methylsulfanylphenyl)-4-oxobutanoyl]oxyacetyl]amino]benzoate Traditional Name: 2-[[2-[4-keto-4-[4-(methylthio)phenyl]butanoyl]oxyacetyl]amino]benzoic acid methyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)COC(=O)CCC(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C21H21NO6S/c1-27-21(26)16-5-3-4-6-17(16)22-19(24)13-28-20(25)12-11-18(23)14-7-9-15(29-2)10-8-14/h3-10H,11-13H2,1-2H3,(H,22,24)