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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanyl-butanamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butanamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfanylbutanamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-4-[(4-fluorophenyl)thio]butyramide Formula: C22H25FN2O4S3 MolecularWeight: 496.638303

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)S(=O)(=O)C)SC1=NC(=O)CCCSC3=CC=C(C=C3)F

InChI

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