2-[3-[5-(4-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]propanoylamino]benzoic acid

Systemtic Name: 2-[3-[5-(4-fluoranyl-2-methoxy-phenyl)thiophen-2-yl]propanoylamino]benzoic acid Openeye Name: 2-[3-[5-(4-fluoro-2-methoxy-phenyl)-2-thienyl]propanoylamino]benzoic acid CAS Name: 2-[[3-[5-(4-fluoro-2-methoxyphenyl)-2-thiophenyl]-1-oxopropyl]amino]benzoic acid IUPAC Name: 2-[3-[5-(4-fluoro-2-methoxyphenyl)thiophen-2-yl]propanoylamino]benzoic acid Traditional Name: 2-[3-[5-(4-fluoro-2-methoxy-phenyl)-2-thienyl]propanoylamino]benzoic acid Formula: C21H18FNO4S MolecularWeight: 399.435323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)F)C2=CC=C(S2)CCC(=O)NC3=CC=CC=C3C(=O)O

Isomeric SMILES

COC1=C(C=CC(=C1)F)C2=CC=C(S2)CCC(=O)NC3=CC=CC=C3C(=O)O

InChI

InChI=1S/C21H18FNO4S/c1-27-18-12-13(22)6-9-16(18)19-10-7-14(28-19)8-11-20(24)23-17-5-3-2-4-15(17)21(25)26/h2-7,9-10,12H,8,11H2,1H3,(H,23,24)(H,25,26)