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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(2-thiophen-2-ylquinolin-4-yl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(2-thiophen-2-ylquinoline-4-carbonyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[2-(2-thienyl)quinoline-4-carbonyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C25H18FN3O3S2 MolecularWeight: 491.557123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5)F

InChI

InChI=1S/C25H18FN3O3S2/c1-2-32-22(30)14-29-23-17(26)8-5-10-21(23)34-25(29)28-24(31)16-13-19(20-11-6-12-33-20)27-18-9-4-3-7-15(16)18/h3-13H,2,14H2,1H3