[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate CAS Name: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoate Traditional Name: 4-(piazthiol-4-ylsulfonylamino)butyric acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C16H14ClN3O5S3 MolecularWeight: 459.94746

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C3=CC=C(S3)Cl

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)OCC(=O)C3=CC=C(S3)Cl

InChI

InChI=1S/C16H14ClN3O5S3/c17-14-7-6-12(26-14)11(21)9-25-15(22)5-2-8-18-28(23,24)13-4-1-3-10-16(13)20-27-19-10/h1,3-4,6-7,18H,2,5,8-9H2