N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-[3-(2-ethoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfanyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-(methylthio)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C22H25FN2O4S3 MolecularWeight: 496.638303

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)SC)SC1=NC(=O)CCCS(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H25FN2O4S3/c1-3-29-13-12-25-19-11-8-17(30-2)15-20(19)31-22(25)24-21(26)5-4-14-32(27,28)18-9-6-16(23)7-10-18/h6-11,15H,3-5,12-14H2,1-2H3