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

Systemtic Name: ethyl 3-[2-[3-(4-fluorophenyl)sulfanylpropanoylimino]-6-sulfamoyl-1,3-benzothiazol-3-yl]propanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C21H22FN3O5S3 MolecularWeight: 511.609883

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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)CCSC3=CC=C(C=C3)F

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN3O5S3/c1-2-30-20(27)9-11-25-17-8-7-16(33(23,28)29)13-18(17)32-21(25)24-19(26)10-12-31-15-5-3-14(22)4-6-15/h3-8,13H,2,9-12H2,1H3,(H2,23,28,29)