(2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-methylsulfonyl-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-thiophen-2-yl-ethyl) 4-methylsulfonyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(2-thienyl)ethyl] 4-methylsulfonyl-3-nitro-benzoate CAS Name: 4-methylsulfonyl-3-nitrobenzoic acid (2-oxo-2-thiophen-2-ylethyl) ester IUPAC Name: (2-oxo-2-thiophen-2-ylethyl) 4-methylsulfonyl-3-nitrobenzoate Traditional Name: 4-mesyl-3-nitro-benzoic acid [2-keto-2-(2-thienyl)ethyl] ester Formula: C14H11NO7S2 MolecularWeight: 369.36964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=CS2)[N+](=O)[O-]

InChI

InChI=1S/C14H11NO7S2/c1-24(20,21)13-5-4-9(7-10(13)15(18)19)14(17)22-8-11(16)12-3-2-6-23-12/h2-7H,8H2,1H3