ethyl 3-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate

Systemtic Name: ethyl 3-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate Openeye Name: ethyl 3-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate CAS Name: 3-[[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-(2,1,3-benzothiadiazol-4-ylsulfonyl)propanoylamino]benzoate Traditional Name: 3-(3-piazthiol-4-ylsulfonylpropanoylamino)benzoic acid ethyl ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CCS(=O)(=O)C2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H17N3O5S2/c1-2-26-18(23)12-5-3-6-13(11-12)19-16(22)9-10-28(24,25)15-8-4-7-14-17(15)21-27-20-14/h3-8,11H,2,9-10H2,1H3,(H,19,22)