ethyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-ethyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C23H25FN2O5S2 MolecularWeight: 492.583403

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OCC

Isomeric SMILES

CCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OCC

InChI

InChI=1S/C23H25FN2O5S2/c1-3-16-7-12-19-20(14-16)32-23(26(19)15-22(28)31-4-2)25-21(27)6-5-13-33(29,30)18-10-8-17(24)9-11-18/h7-12,14H,3-6,13,15H2,1-2H3