N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide

Systemtic Name: N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(3-ethyl-4,7-dimethoxy-1,3-benzothiazol-2-ylidene)butyramide Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O5S2/c1-4-23-19-16(27-2)12-13-17(28-3)20(19)29-21(23)22-18(24)11-8-14-30(25,26)15-9-6-5-7-10-15/h5-7,9-10,12-13H,4,8,11,14H2,1-3H3