N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(trifluoromethyl)benzamide Formula: C20H19F3N2O3S2 MolecularWeight: 456.50167

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CCSC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)N(C(=NC(=O)C3=CC(=CC=C3)C(F)(F)F)S2)CCSC)OC

InChI

InChI=1S/C20H19F3N2O3S2/c1-27-15-10-14-17(11-16(15)28-2)30-19(25(14)7-8-29-3)24-18(26)12-5-4-6-13(9-12)20(21,22)23/h4-6,9-11H,7-8H2,1-3H3