methyl 2-[6-fluoranyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-fluoranyl-2-[2-(4-propan-2-ylsulfonylphenyl)ethanoylimino]-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-fluoro-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-fluoro-2-[1-oxo-2-(4-propan-2-ylsulfonylphenyl)ethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-fluoro-2-[2-(4-propan-2-ylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-fluoro-2-[2-(4-isopropylsulfonylphenyl)acetyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H21FN2O5S2 MolecularWeight: 464.530243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CC(=O)OC

Isomeric SMILES

CC(C)S(=O)(=O)C1=CC=C(C=C1)CC(=O)N=C2N(C3=C(S2)C=C(C=C3)F)CC(=O)OC

InChI

InChI=1S/C21H21FN2O5S2/c1-13(2)31(27,28)16-7-4-14(5-8-16)10-19(25)23-21-24(12-20(26)29-3)17-9-6-15(22)11-18(17)30-21/h4-9,11,13H,10,12H2,1-3H3