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

Systemtic Name: methyl 4,5-dimethoxy-2-[[4-(1,3-thiazol-4-ylmethylsulfanyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 4,5-dimethoxy-2-[[4-(thiazol-4-ylmethylsulfanyl)benzoyl]amino]benzoate CAS Name: 4,5-dimethoxy-2-[[oxo-[4-(4-thiazolylmethylthio)phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4,5-dimethoxy-2-[[4-(1,3-thiazol-4-ylmethylsulfanyl)benzoyl]amino]benzoate Traditional Name: 4,5-dimethoxy-2-[[4-(thiazol-4-ylmethylthio)benzoyl]amino]benzoic acid methyl ester Formula: C21H20N2O5S2 MolecularWeight: 444.5239

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C(=O)OC)NC(=O)C2=CC=C(C=C2)SCC3=CSC=N3)OC

InChI

InChI=1S/C21H20N2O5S2/c1-26-18-8-16(21(25)28-3)17(9-19(18)27-2)23-20(24)13-4-6-15(7-5-13)30-11-14-10-29-12-22-14/h4-10,12H,11H2,1-3H3,(H,23,24)