dimethyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]amino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl]amino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-keto-2-(piazthiol-4-ylamino)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NCC(=O)NC2=CC=CC3=NSN=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NCC(=O)NC2=CC=CC3=NSN=C32)C(=O)OC

InChI

InChI=1S/C18H16N4O5S/c1-26-17(24)10-6-11(18(25)27-2)8-12(7-10)19-9-15(23)20-13-4-3-5-14-16(13)22-28-21-14/h3-8,19H,9H2,1-2H3,(H,20,23)