methyl 2-[6-fluoranyl-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-fluoranyl-2-(2-naphthalen-1-ylethanoylimino)-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-fluoro-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-fluoro-2-[2-(1-naphthalenyl)-1-oxoethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-fluoro-2-(2-naphthalen-1-ylacetyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-fluoro-2-[2-(1-naphthyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C22H17FN2O3S MolecularWeight: 408.445383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)F)SC1=NC(=O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H17FN2O3S/c1-28-21(27)13-25-18-10-9-16(23)12-19(18)29-22(25)24-20(26)11-15-7-4-6-14-5-2-3-8-17(14)15/h2-10,12H,11,13H2,1H3