[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-cyanophenoxy)ethanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-(4-cyanophenoxy)ethanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-(4-cyanophenoxy)acetate CAS Name: 2-(4-cyanophenoxy)acetic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2-(4-cyanophenoxy)acetate Traditional Name: 2-(4-cyanophenoxy)acetic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C17H12N4O4S MolecularWeight: 368.36658

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)COC3=CC=C(C=C3)C#N

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)COC3=CC=C(C=C3)C#N

InChI

InChI=1S/C17H12N4O4S/c18-8-11-4-6-12(7-5-11)24-10-16(23)25-9-15(22)19-13-2-1-3-14-17(13)21-26-20-14/h1-7H,9-10H2,(H,19,22)