ethyl 2-[4-fluoranyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-[4-(p-tolylsulfanyl)butanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[4-[(4-methylphenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-[4-(4-methylphenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[4-(p-tolylthio)butanoylimino]-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23FN2O3S2 MolecularWeight: 446.558023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CCCSC3=CC=C(C=C3)C)F

InChI

InChI=1S/C22H23FN2O3S2/c1-3-28-20(27)14-25-21-17(23)6-4-7-18(21)30-22(25)24-19(26)8-5-13-29-16-11-9-15(2)10-12-16/h4,6-7,9-12H,3,5,8,13-14H2,1-2H3