3-[(5-ethylthiophen-2-yl)methylsulfonyl]-4-fluoranyl-benzoic acid

Systemtic Name: 3-[(5-ethylthiophen-2-yl)methylsulfonyl]-4-fluoranyl-benzoic acid Openeye Name: 3-[(5-ethyl-2-thienyl)methylsulfonyl]-4-fluoro-benzoic acid CAS Name: 3-[(5-ethyl-2-thiophenyl)methylsulfonyl]-4-fluorobenzoic acid IUPAC Name: 3-[(5-ethylthiophen-2-yl)methylsulfonyl]-4-fluorobenzoic acid Traditional Name: 3-[(5-ethyl-2-thienyl)methylsulfonyl]-4-fluoro-benzoic acid Formula: C14H13FO4S2 MolecularWeight: 328.379023

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

Isomeric SMILES

CCC1=CC=C(S1)CS(=O)(=O)C2=C(C=CC(=C2)C(=O)O)F

InChI

InChI=1S/C14H13FO4S2/c1-2-10-4-5-11(20-10)8-21(18,19)13-7-9(14(16)17)3-6-12(13)15/h3-7H,2,8H2,1H3,(H,16,17)