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

Systemtic Name: methyl 2-[6-bromanyl-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-bromo-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-bromo-2-[4-[(4-fluorophenyl)thio]-1-oxobutyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-bromo-2-[4-(4-fluorophenyl)sulfanylbutanoylimino]-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-bromo-2-[4-[(4-fluorophenyl)thio]butanoylimino]-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C20H18BrFN2O3S2 MolecularWeight: 497.400923

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)Br)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

InChI=1S/C20H18BrFN2O3S2/c1-27-19(26)12-24-16-9-4-13(21)11-17(16)29-20(24)23-18(25)3-2-10-28-15-7-5-14(22)6-8-15/h4-9,11H,2-3,10,12H2,1H3