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

Systemtic Name: methyl 2-[4-fluoranyl-2-(4-methylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-fluoro-2-(4-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[(4-methylsulfonylphenyl)-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-2-(4-methylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(4-mesylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C18H15FN2O5S2 MolecularWeight: 422.450503

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C18H15FN2O5S2/c1-26-15(22)10-21-16-13(19)4-3-5-14(16)27-18(21)20-17(23)11-6-8-12(9-7-11)28(2,24)25/h3-9H,10H2,1-2H3