methyl 2-[4-fluoranyl-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[4-fluoranyl-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-fluoro-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(4-phenoxyphenyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(4-phenoxybenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C23H17FN2O4S MolecularWeight: 436.455483

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)F

InChI

InChI=1S/C23H17FN2O4S/c1-29-20(27)14-26-21-18(24)8-5-9-19(21)31-23(26)25-22(28)15-10-12-17(13-11-15)30-16-6-3-2-4-7-16/h2-13H,14H2,1H3