2-ethanoylsulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide

Systemtic Name: 2-ethanoylsulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)ethanamide Openeye Name: 2-acetylsulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide CAS Name: 2-acetylsulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide IUPAC Name: 2-acetylsulfonyl-N-(6-nitro-3-prop-2-ynyl-1,3-benzothiazol-2-ylidene)acetamide Traditional Name: 2-acetylsulfonyl-N-(6-nitro-3-propargyl-1,3-benzothiazol-2-ylidene)acetamide Formula: C14H11N3O6S2 MolecularWeight: 381.38364

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)S(=O)(=O)CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC#C

Isomeric SMILES

CC(=O)S(=O)(=O)CC(=O)N=C1N(C2=C(S1)C=C(C=C2)[N+](=O)[O-])CC#C

InChI

InChI=1S/C14H11N3O6S2/c1-3-6-16-11-5-4-10(17(20)21)7-12(11)24-14(16)15-13(19)8-25(22,23)9(2)18/h1,4-5,7H,6,8H2,2H3