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

Systemtic Name: N-[[7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide Openeye Name: N-[[5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide CAS Name: N-[[5-(5-acetyl-2-thiophenyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-2-ethyl-5-methyl-3-pyrazolecarboxamide IUPAC Name: N-[[5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-ethyl-5-methylpyrazole-3-carboxamide Traditional Name: N-[[5-(5-acetyl-2-thienyl)-7-chloro-coumaran-2-yl]methyl]-2-ethyl-5-methyl-pyrazole-3-carboxamide Formula: C22H22ClN3O3S MolecularWeight: 443.94638

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=N1)C)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CC=C(S4)C(=O)C)Cl

Isomeric SMILES

CCN1C(=CC(=N1)C)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CC=C(S4)C(=O)C)Cl

InChI

InChI=1S/C22H22ClN3O3S/c1-4-26-18(7-12(2)25-26)22(28)24-11-16-9-15-8-14(10-17(23)21(15)29-16)20-6-5-19(30-20)13(3)27/h5-8,10,16H,4,9,11H2,1-3H3,(H,24,28)