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

Systemtic Name: methyl 2-[(2Z)-4-fluoranyl-2-(4-methylphenyl)sulfonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H15FN2O4S2 MolecularWeight: 394.440403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N=C2N(C3=C(C=CC=C3S2)F)CC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/N=C\2/N(C3=C(C=CC=C3S2)F)CC(=O)OC

InChI

InChI=1S/C17H15FN2O4S2/c1-11-6-8-12(9-7-11)26(22,23)19-17-20(10-15(21)24-2)16-13(18)4-3-5-14(16)25-17/h3-9H,10H2,1-2H3/b19-17-