[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 4-(3-ethoxy-4-oxidanyl-phenyl)-4-oxidanylidene-butanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 4-(3-ethoxy-4-hydroxy-phenyl)-4-oxo-butanoate CAS Name: 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 4-(3-ethoxy-4-hydroxyphenyl)-4-oxobutanoate Traditional Name: 4-(3-ethoxy-4-hydroxy-phenyl)-4-keto-butyric acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C20H19N3O6S MolecularWeight: 429.44636

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)CCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32)O

InChI

InChI=1S/C20H19N3O6S/c1-2-28-17-10-12(6-7-16(17)25)15(24)8-9-19(27)29-11-18(26)21-13-4-3-5-14-20(13)23-30-22-14/h3-7,10,25H,2,8-9,11H2,1H3,(H,21,26)