[2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenoxy)propanoate

Systemtic Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxidanylidene-ethyl] 3-(4-methoxyphenoxy)propanoate Openeye Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxo-ethyl] 3-(4-methoxyphenoxy)propanoate CAS Name: 3-(4-methoxyphenoxy)propanoic acid [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,1,3-benzothiadiazol-4-ylamino)-2-oxoethyl] 3-(4-methoxyphenoxy)propanoate Traditional Name: 3-(4-methoxyphenoxy)propionic acid [2-keto-2-(piazthiol-4-ylamino)ethyl] ester Formula: C18H17N3O5S MolecularWeight: 387.40968

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

Isomeric SMILES

COC1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=CC3=NSN=C32

InChI

InChI=1S/C18H17N3O5S/c1-24-12-5-7-13(8-6-12)25-10-9-17(23)26-11-16(22)19-14-3-2-4-15-18(14)21-27-20-15/h2-8H,9-11H2,1H3,(H,19,22)