N-[[(2R)-7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide

Systemtic Name: N-[[(2R)-7-(5-ethanoylthiophen-2-yl)-5-fluoranyl-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide Openeye Name: N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide CAS Name: N-[[(2R)-7-(5-acetyl-2-thiophenyl)-5-fluoro-2,3-dihydrobenzofuran-2-yl]methyl]-5-ethyl-2-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2R)-7-(5-acetylthiophen-2-yl)-5-fluoro-2,3-dihydro-1-benzofuran-2-yl]methyl]-5-ethyl-2-methylpyrazole-3-carboxamide Traditional Name: N-[[(2R)-7-(5-acetyl-2-thienyl)-5-fluoro-coumaran-2-yl]methyl]-5-ethyl-2-methyl-pyrazole-3-carboxamide Formula: C22H22FN3O3S MolecularWeight: 427.491783

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN(C(=C1)C(=O)NCC2CC3=C(O2)C(=CC(=C3)F)C4=CC=C(S4)C(=O)C)C

Isomeric SMILES

CCC1=NN(C(=C1)C(=O)NC[C@H]2CC3=C(O2)C(=CC(=C3)F)C4=CC=C(S4)C(=O)C)C

InChI

InChI=1S/C22H22FN3O3S/c1-4-15-10-18(26(3)25-15)22(28)24-11-16-8-13-7-14(23)9-17(21(13)29-16)20-6-5-19(30-20)12(2)27/h5-7,9-10,16H,4,8,11H2,1-3H3,(H,24,28)/t16-/m1/s1