[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-oxidanylidene-4-thiophen-2-yl-butanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-oxo-4-(2-thienyl)butanoate CAS Name: 4-oxo-4-thiophen-2-ylbutanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-oxo-4-thiophen-2-ylbutanoate Traditional Name: 4-keto-4-(2-thienyl)butyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C16H13N3O4S2 MolecularWeight: 375.42212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCC(=O)C3=CC=CS3

InChI

InChI=1S/C16H13N3O4S2/c20-12(13-5-2-8-24-13)6-7-15(22)23-9-14(21)17-10-3-1-4-11-16(10)19-25-18-11/h1-5,8H,6-7,9H2,(H,17,21)