N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide

Systemtic Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3-nitrobenzamide Traditional Name: N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-3-nitro-benzamide Formula: C17H16N4O6S2 MolecularWeight: 436.46214

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COCCN1C2=C(C=C(C=C2)S(=O)(=O)N)SC1=NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H16N4O6S2/c1-27-8-7-20-14-6-5-13(29(18,25)26)10-15(14)28-17(20)19-16(22)11-3-2-4-12(9-11)21(23)24/h2-6,9-10H,7-8H2,1H3,(H2,18,25,26)