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

Systemtic Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide Openeye Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-methylsulfonyl-benzamide CAS Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide IUPAC Name: N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-methylsulfonylbenzamide Traditional Name: 4-mesyl-N-[3-(2-methoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C18H17N3O6S2 MolecularWeight: 435.47408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6S2/c1-27-10-9-20-15-8-5-13(21(23)24)11-16(15)28-18(20)19-17(22)12-3-6-14(7-4-12)29(2,25)26/h3-8,11H,9-10H2,1-2H3