ethyl 2-[(2Z)-4-fluoranyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-4-fluoranyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-4-fluoro-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-4-fluoro-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-4-fluoro-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-4-fluoro-2-tosylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C18H17FN2O4S2 MolecularWeight: 408.466983

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NS(=O)(=O)C3=CC=C(C=C3)C)F

Isomeric SMILES

CCOC(=O)CN\1C2=C(C=CC=C2S/C1=N\S(=O)(=O)C3=CC=C(C=C3)C)F

InChI

InChI=1S/C18H17FN2O4S2/c1-3-25-16(22)11-21-17-14(19)5-4-6-15(17)26-18(21)20-27(23,24)13-9-7-12(2)8-10-13/h4-10H,3,11H2,1-2H3/b20-18-