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

Systemtic Name: 5-chloranyl-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Openeye Name: 5-chloro-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide CAS Name: 5-chloro-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide IUPAC Name: 5-chloro-N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-2-nitrobenzamide Traditional Name: 5-chloro-N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-2-nitro-benzamide Formula: C19H18ClN3O6S2 MolecularWeight: 483.94572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClN3O6S2/c1-3-29-9-8-22-16-7-5-13(31(2,27)28)11-17(16)30-19(22)21-18(24)14-10-12(20)4-6-15(14)23(25)26/h4-7,10-11H,3,8-9H2,1-2H3