[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2,5-dimethylbenzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2,5-dimethylbenzoate CAS Name: 2,5-dimethylbenzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 2,5-dimethylbenzoate Traditional Name: 2,5-dimethylbenzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C17H15N3O3S MolecularWeight: 341.3843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C17H15N3O3S/c1-10-6-7-11(2)12(8-10)17(22)23-9-15(21)18-13-4-3-5-14-16(13)20-24-19-14/h3-8H,9H2,1-2H3,(H,18,21)