ethyl 2-[4-fluoranyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-(4-oxidanylidenechromen-3-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(4-oxo-1-benzopyran-3-yl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(4-oxochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(4-ketochromene-3-carbonyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C21H15FN2O5S MolecularWeight: 426.417603

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=COC4=CC=CC=C4C3=O)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=COC4=CC=CC=C4C3=O)F

InChI

InChI=1S/C21H15FN2O5S/c1-2-28-17(25)10-24-18-14(22)7-5-9-16(18)30-21(24)23-20(27)13-11-29-15-8-4-3-6-12(15)19(13)26/h3-9,11H,2,10H2,1H3