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

Systemtic Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide Openeye Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonyl-benzamide CAS Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide IUPAC Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-methylsulfonylbenzamide Traditional Name: N-[5,6-dimethoxy-3-(2-methoxyethyl)-1,3-benzothiazol-2-ylidene]-3-mesyl-benzamide Formula: C20H22N2O6S2 MolecularWeight: 450.52848

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)OC)OC

Isomeric SMILES

COCCN1C2=CC(=C(C=C2SC1=NC(=O)C3=CC(=CC=C3)S(=O)(=O)C)OC)OC

InChI

InChI=1S/C20H22N2O6S2/c1-26-9-8-22-15-11-16(27-2)17(28-3)12-18(15)29-20(22)21-19(23)13-6-5-7-14(10-13)30(4,24)25/h5-7,10-12H,8-9H2,1-4H3