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

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H23N3O6S MolecularWeight: 445.48882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C21H23N3O6S/c1-4-27-16-10-13(11-17(28-5-2)20(16)29-6-3)21(26)30-12-18(25)22-14-8-7-9-15-19(14)24-31-23-15/h7-11H,4-6,12H2,1-3H3,(H,22,25)