methyl 4,5-dimethoxy-2-[[3-(2-methylsulfanylimidazol-1-yl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4,5-dimethoxy-2-[[3-(2-methylsulfanylimidazol-1-yl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[[3-[2-(methylthio)-1-imidazolyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[3-(2-methylsulfanylimidazol-1-yl)benzoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[3-[2-(methylthio)imidazol-1-yl]benzoyl]amino]benzoic acid methyl ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)N3C=CN=C3SC)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC(=CC=C2)N3C=CN=C3SC)OC

InChI

InChI=1S/C21H21N3O5S/c1-27-17-11-15(20(26)29-3)16(12-18(17)28-2)23-19(25)13-6-5-7-14(10-13)24-9-8-22-21(24)30-4/h5-12H,1-4H3,(H,23,25)