N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)ethanamide

Systemtic Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)ethanamide Openeye Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide CAS Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide IUPAC Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-methylsulfonylphenyl)acetamide Traditional Name: N-(3-ethyl-6-nitro-1,3-benzothiazol-2-ylidene)-2-(4-mesylphenyl)acetamide Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)[N+](=O)[O-])SC1=NC(=O)CC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C18H17N3O5S2/c1-3-20-15-9-6-13(21(23)24)11-16(15)27-18(20)19-17(22)10-12-4-7-14(8-5-12)28(2,25)26/h4-9,11H,3,10H2,1-2H3