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

Systemtic Name: dimethyl 5-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethoxy]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylate CAS Name: 5-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethoxy]benzene-1,3-dicarboxylate Traditional Name: 5-[2-keto-2-(piazthiol-4-ylamino)ethoxy]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C18H15N3O6S MolecularWeight: 401.3932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O6S/c1-25-17(23)10-6-11(18(24)26-2)8-12(7-10)27-9-15(22)19-13-4-3-5-14-16(13)21-28-20-14/h3-8H,9H2,1-2H3,(H,19,22)