N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide CAS Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide Traditional Name: N-[3-(2-ethoxyethyl)-5,6-dimethoxy-1,3-benzothiazol-2-ylidene]-3-mesyl-benzamide Formula: C21H24N2O6S2 MolecularWeight: 464.55506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2O6S2/c1-5-29-10-9-23-16-12-17(27-2)18(28-3)13-19(16)30-21(23)22-20(24)14-7-6-8-15(11-14)31(4,25)26/h6-8,11-13H,5,9-10H2,1-4H3