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

Systemtic Name: ethyl 2-[4-fluoranyl-2-(2-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[(2-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-(2-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(2-mesylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C19H17FN2O5S2 MolecularWeight: 436.477083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=CC=C3S(=O)(=O)C)F

InChI

InChI=1S/C19H17FN2O5S2/c1-3-27-16(23)11-22-17-13(20)8-6-9-14(17)28-19(22)21-18(24)12-7-4-5-10-15(12)29(2,25)26/h4-10H,3,11H2,1-2H3