N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[4-fluoranyl-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(benzenesulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-besyl-N-[4-fluoro-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]butyramide Formula: C20H21FN2O4S2 MolecularWeight: 436.520143

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

COCCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C20H21FN2O4S2/c1-27-13-12-23-19-16(21)9-5-10-17(19)28-20(23)22-18(24)11-6-14-29(25,26)15-7-3-2-4-8-15/h2-5,7-10H,6,11-14H2,1H3