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

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 2-[(4-butoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 2-[(4-butoxybenzoyl)amino]acetate CAS Name: 2-[[(4-butoxyphenyl)-oxomethyl]amino]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-butoxybenzoyl)amino]acetate Traditional Name: 2-[(4-butoxybenzoyl)amino]acetic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)NCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C21H22N4O5S/c1-2-3-11-29-15-9-7-14(8-10-15)21(28)22-12-19(27)30-13-18(26)23-16-5-4-6-17-20(16)25-31-24-17/h4-10H,2-3,11-13H2,1H3,(H,22,28)(H,23,26)