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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(4-phenoxyphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C24H19FN2O4S MolecularWeight: 450.482063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H19FN2O4S/c1-2-30-21(28)15-27-22-19(25)9-6-10-20(22)32-24(27)26-23(29)16-11-13-18(14-12-16)31-17-7-4-3-5-8-17/h3-14H,2,15H2,1H3