methyl 2-[6-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate

Systemtic Name: methyl 2-[6-methylsulfonyl-2-[3-(trifluoromethyl)phenyl]carbonylimino-1,3-benzothiazol-3-yl]ethanoate Openeye Name: methyl 2-[6-methylsulfonyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate CAS Name: 2-[6-methylsulfonyl-2-[oxo-[3-(trifluoromethyl)phenyl]methyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester IUPAC Name: methyl 2-[6-methylsulfonyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetate Traditional Name: 2-[6-mesyl-2-[3-(trifluoromethyl)benzoyl]imino-1,3-benzothiazol-3-yl]acetic acid methyl ester Formula: C19H15F3N2O5S2 MolecularWeight: 472.45801

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC(=O)CN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O5S2/c1-29-16(25)10-24-14-7-6-13(31(2,27)28)9-15(14)30-18(24)23-17(26)11-4-3-5-12(8-11)19(20,21)22/h3-9H,10H2,1-2H3