N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(4-ethoxy-3-ethyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O4S2 MolecularWeight: 432.55626

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)OCC

Isomeric SMILES

CCN1C2=C(C=CC=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)OCC

InChI

InChI=1S/C21H24N2O4S2/c1-3-23-20-17(27-4-2)12-8-13-18(20)28-21(23)22-19(24)14-9-15-29(25,26)16-10-6-5-7-11-16/h5-8,10-13H,3-4,9,14-15H2,1-2H3