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

Systemtic Name: 5-chloranyl-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[3-(2-methoxyethyl)-6-sulfamoyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C17H15ClN4O6S2 MolecularWeight: 470.9072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15ClN4O6S2/c1-28-7-6-21-14-5-3-11(30(19,26)27)9-15(14)29-17(21)20-16(23)12-8-10(18)2-4-13(12)22(24)25/h2-5,8-9H,6-7H2,1H3,(H2,19,26,27)