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

Systemtic Name: methyl 2-[6-butyl-2-[4-(4-fluorophenyl)sulfonylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C24H27FN2O5S2 MolecularWeight: 506.609983

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C24H27FN2O5S2/c1-3-4-6-17-8-13-20-21(15-17)33-24(27(20)16-23(29)32-2)26-22(28)7-5-14-34(30,31)19-11-9-18(25)10-12-19/h8-13,15H,3-7,14,16H2,1-2H3