N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-ethanamide

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-ethanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-acetamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonylacetamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonylacetamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-2-(4-fluorophenyl)sulfonyl-acetamide Formula: C20H21FN2O5S3 MolecularWeight: 484.584543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21FN2O5S3/c1-27-16-10-15-18(11-17(16)28-2)30-20(23(15)8-9-29-3)22-19(24)12-31(25,26)14-6-4-13(21)5-7-14/h4-7,10-11H,8-9,12H2,1-3H3