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

Systemtic Name: methyl 2-[4-fluoranyl-2-(4-morpholin-4-ylsulfonylphenyl)carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[4-fluoro-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[4-fluoro-2-[[4-(4-morpholinylsulfonyl)phenyl]-oxomethyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4-fluoro-2-(4-morpholin-4-ylsulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[4-fluoro-2-(4-morpholinosulfonylbenzoyl)imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C21H20FN3O6S2 MolecularWeight: 493.528403

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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)N4CCOCC4)F

Isomeric SMILES

COC(=O)CN1C2=C(C=CC=C2SC1=NC(=O)C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)F

InChI

InChI=1S/C21H20FN3O6S2/c1-30-18(26)13-25-19-16(22)3-2-4-17(19)32-21(25)23-20(27)14-5-7-15(8-6-14)33(28,29)24-9-11-31-12-10-24/h2-8H,9-13H2,1H3