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

Systemtic Name: ethyl 2-[6-butyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[6-butyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-butyl-2-[4-(4-fluorophenyl)sulfonyl-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[6-butyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-butyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H29FN2O5S2 MolecularWeight: 520.636563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OCC

Isomeric SMILES

CCCCC1=CC2=C(C=C1)N(C(=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F)S2)CC(=O)OCC

InChI

InChI=1S/C25H29FN2O5S2/c1-3-5-7-18-9-14-21-22(16-18)34-25(28(21)17-24(30)33-4-2)27-23(29)8-6-15-35(31,32)20-12-10-19(26)11-13-20/h9-14,16H,3-8,15,17H2,1-2H3