N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[2-(6-methoxy-3-oxidanylidene-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-(trifluoromethyl)benzamide Openeye Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-(trifluoromethyl)benzamide CAS Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-(trifluoromethyl)benzamide IUPAC Name: N-[2-(6-methoxy-3-oxo-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-(trifluoromethyl)benzamide Traditional Name: N-[2-(3-keto-6-methoxy-2H-1,3-benzothiazol-3-ium-2-yl)ethyl]-3-(trifluoromethyl)benzamide Formula: C18H16F3N2O3S+ MolecularWeight: 397.39145

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(C=C1)[N+](=O)C(S2)CCNC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H15F3N2O3S/c1-26-13-5-6-14-15(10-13)27-16(23(14)25)7-8-22-17(24)11-3-2-4-12(9-11)18(19,20)21/h2-6,9-10,16H,7-8H2,1H3/p+1