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

Systemtic Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-(1,3-thiazol-2-yl)butane-1,3-dione Openeye Name: 1-(4-methylsulfonyl-2-nitro-phenyl)-2-thiazol-2-yl-butane-1,3-dione CAS Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(2-thiazolyl)butane-1,3-dione IUPAC Name: 1-(4-methylsulfonyl-2-nitrophenyl)-2-(1,3-thiazol-2-yl)butane-1,3-dione Traditional Name: 1-(4-mesyl-2-nitro-phenyl)-2-thiazol-2-yl-butane-1,3-dione Formula: C14H12N2O6S2 MolecularWeight: 368.38488

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C1=NC=CS1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC(=O)C(C1=NC=CS1)C(=O)C2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C14H12N2O6S2/c1-8(17)12(14-15-5-6-23-14)13(18)10-4-3-9(24(2,21)22)7-11(10)16(19)20/h3-7,12H,1-2H3