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

Systemtic Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-methylsulfonyl-1,3-benzothiazol-2-ylidene]-4-nitrobenzamide Traditional Name: N-[3-(2-ethoxyethyl)-6-mesyl-1,3-benzothiazol-2-ylidene]-4-nitro-benzamide Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O6S2/c1-3-28-11-10-21-16-9-8-15(30(2,26)27)12-17(16)29-19(21)20-18(23)13-4-6-14(7-5-13)22(24)25/h4-9,12H,3,10-11H2,1-2H3