[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-(4-chlorophenyl)sulfanylbutanoate CAS Name: 4-[(4-chlorophenyl)thio]butanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(4-chlorophenyl)sulfanylbutanoate Traditional Name: 4-[(4-chlorophenyl)thio]butyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H16ClN3O3S2 MolecularWeight: 421.92094

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC2=NSN=C2C(=C1)NC(=O)COC(=O)CCCSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H16ClN3O3S2/c19-12-6-8-13(9-7-12)26-10-2-5-17(24)25-11-16(23)20-14-3-1-4-15-18(14)22-27-21-15/h1,3-4,6-9H,2,5,10-11H2,(H,20,23)