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

Systemtic Name: N-[6-chloranyl-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide Openeye Name: N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butanamide CAS Name: N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide IUPAC Name: N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonylbutanamide Traditional Name: N-[6-chloro-3-(2-ethoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(4-fluorophenyl)sulfonyl-butyramide Formula: C21H22ClFN2O4S2 MolecularWeight: 484.991783

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22ClFN2O4S2/c1-2-29-12-11-25-18-10-5-15(22)14-19(18)30-21(25)24-20(26)4-3-13-31(27,28)17-8-6-16(23)7-9-17/h5-10,14H,2-4,11-13H2,1H3