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

Systemtic Name: N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide CAS Name: 4-(benzenesulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide IUPAC Name: 4-(benzenesulfonyl)-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butanamide Traditional Name: 4-besyl-N-(4,7-dimethoxy-3-methyl-1,3-benzothiazol-2-ylidene)butyramide Formula: C20H22N2O5S2 MolecularWeight: 434.52908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CN1C2=C(C=CC(=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C20H22N2O5S2/c1-22-18-15(26-2)11-12-16(27-3)19(18)28-20(22)21-17(23)10-7-13-29(24,25)14-8-5-4-6-9-14/h4-6,8-9,11-12H,7,10,13H2,1-3H3