1-(4-methylsulfonyl-2-nitro-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)butane-1,3-dione

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(4-methyl-1,3-thiazol-2-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(4-methylthiazol-2-yl)butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(4-methyl-2-thiazolyl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(4-methyl-1,3-thiazol-2-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-(4-methylthiazol-2-yl)butane-1,3-dione Formula: C15H14N2O6S2 MolecularWeight: 382.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)C(C(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)C(C(=O)C)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O6S2/c1-8-7-24-15(16-8)13(9(2)18)14(19)11-5-4-10(25(3,22)23)6-12(11)17(20)21/h4-7,13H,1-3H3