N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(6-fluoranyl-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(6-fluoro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(6-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=C(C=C2)F)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C#CCN1C2=C(C=C(C=C2)F)SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3

InChI

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