N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-2-(4-mesylphenyl)acetamide Formula: C20H21N3O6S2 MolecularWeight: 463.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOCCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H21N3O6S2/c1-3-29-11-10-22-17-9-6-15(23(25)26)13-18(17)30-20(22)21-19(24)12-14-4-7-16(8-5-14)31(2,27)28/h4-9,13H,3,10-12H2,1-2H3