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

Systemtic Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfonyl-propanamide Openeye Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfonyl-propanamide CAS Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfonylpropanamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methylsulfanylethyl)-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfonylpropanamide Traditional Name: N-[5,6-dimethoxy-3-[2-(methylthio)ethyl]-1,3-benzothiazol-2-ylidene]-3-(4-fluorophenyl)sulfonyl-propionamide Formula: C21H23FN2O5S3 MolecularWeight: 498.611123

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O5S3/c1-28-17-12-16-19(13-18(17)29-2)31-21(24(16)9-10-30-3)23-20(25)8-11-32(26,27)15-6-4-14(22)5-7-15/h4-7,12-13H,8-11H2,1-3H3