N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-4-(phenylsulfonyl)butanamide Openeye Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]butanamide CAS Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]butanamide IUPAC Name: 4-(benzenesulfonyl)-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]butanamide Traditional Name: 4-besyl-N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]butyramide Formula: C23H28N2O6S2 MolecularWeight: 492.60822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=CC(=C(C=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)OC)OC

Isomeric SMILES

CCOCCN1C2=CC(=C(C=C2SC1=NC(=O)CCCS(=O)(=O)C3=CC=CC=C3)OC)OC

InChI

InChI=1S/C23H28N2O6S2/c1-4-31-13-12-25-18-15-19(29-2)20(30-3)16-21(18)32-23(25)24-22(26)11-8-14-33(27,28)17-9-6-5-7-10-17/h5-7,9-10,15-16H,4,8,11-14H2,1-3H3