5-[5-(3-fluoranyl-5-nitro-phenyl)pent-4-ynyl]-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione

Systemtic Name: 5-[5-(3-fluoranyl-5-nitro-phenyl)pent-4-ynyl]-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Openeye Name: 5-[5-(3-fluoro-5-nitro-phenyl)pent-4-ynyl]-3-(2-methoxyphenyl)sulfonyl-thiazolidine-2,4-dione CAS Name: 5-[5-(3-fluoro-5-nitrophenyl)pent-4-ynyl]-3-(2-methoxyphenyl)sulfonylthiazolidine-2,4-dione IUPAC Name: 5-[5-(3-fluoro-5-nitrophenyl)pent-4-ynyl]-3-(2-methoxyphenyl)sulfonyl-1,3-thiazolidine-2,4-dione Traditional Name: 5-[5-(3-fluoro-5-nitro-phenyl)pent-4-ynyl]-3-(2-methoxyphenyl)sulfonyl-thiazolidine-2,4-quinone Formula: C21H17FN2O7S2 MolecularWeight: 492.497283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1S(=O)(=O)N2C(=O)C(SC2=O)CCCC#CC3=CC(=CC(=C3)F)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC=C1S(=O)(=O)N2C(=O)C(SC2=O)CCCC#CC3=CC(=CC(=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C21H17FN2O7S2/c1-31-17-8-5-6-10-19(17)33(29,30)23-20(25)18(32-21(23)26)9-4-2-3-7-14-11-15(22)13-16(12-14)24(27)28/h5-6,8,10-13,18H,2,4,9H2,1H3