ethyl 2-[4-fluoranyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-fluoranyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-fluoro-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-fluoro-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid ethyl ester Formula: C22H23FN2O5S2 MolecularWeight: 478.556823

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)F

Isomeric SMILES

CCOC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C(C)C)F

InChI

InChI=1S/C22H23FN2O5S2/c1-4-30-20(27)13-25-21-17(23)6-5-7-18(21)31-22(25)24-19(26)12-15-8-10-16(11-9-15)32(28,29)14(2)3/h5-11,14H,4,12-13H2,1-3H3