ethyl 2-[(2Z)-6-fluoranyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[(2Z)-6-fluoranyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[(2Z)-6-fluoro-2-(p-tolylsulfonylimino)-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[(2Z)-6-fluoro-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[(2Z)-6-fluoro-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[(2Z)-6-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=C(C=C2)F)SC1=NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

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

InChI

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