methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate

Systemtic Name: methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate CAS Name: 3-[2-[3-[(4-fluorophenyl)thio]-1-oxopropyl]imino-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Traditional Name: 3-[2-[3-[(4-fluorophenyl)thio]propanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propionic acid methyl ester Formula: C20H20FN3O5S3 MolecularWeight: 497.583303

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)CCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O5S3/c1-29-19(26)8-10-24-16-7-6-15(32(22,27)28)12-17(16)31-20(24)23-18(25)9-11-30-14-4-2-13(21)3-5-14/h2-7,12H,8-11H2,1H3,(H2,22,27,28)