ethyl 3-[2-[2-(4-chloranylphenoxy)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: ethyl 3-[2-[2-(4-chloranylphenoxy)ethanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 3-[2-[2-(4-chlorophenoxy)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[2-(4-chlorophenoxy)-1-oxoethyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[2-[2-(4-chlorophenoxy)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[2-(4-chlorophenoxy)acetyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid ethyl ester Formula: C20H20ClN3O6S2 MolecularWeight: 497.9723

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O6S2/c1-2-29-19(26)9-10-24-16-8-7-15(32(22,27)28)11-17(16)31-20(24)23-18(25)12-30-14-5-3-13(21)4-6-14/h3-8,11H,2,9-10,12H2,1H3,(H2,22,27,28)