N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(4-fluoro-3-propargyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H17FN2O3S2 MolecularWeight: 416.488983

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Descriptors Computed from Structure

Canonical SMILES:

C#CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

C#CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C20H17FN2O3S2/c1-2-13-23-19-16(21)10-6-11-17(19)27-20(23)22-18(24)12-7-14-28(25,26)15-8-4-3-5-9-15/h1,3-6,8-11H,7,12-14H2