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

Systemtic Name: N-[[(2S)-7-chloranyl-5-(5-ethanoylthiophen-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[[(2S)-5-(5-acetyl-2-thienyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[[(2S)-5-(5-acetyl-2-thiophenyl)-7-chloro-2,3-dihydrobenzofuran-2-yl]methyl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[[(2S)-5-(5-acetylthiophen-2-yl)-7-chloro-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[[(2S)-5-(5-acetyl-2-thienyl)-7-chloro-coumaran-2-yl]methyl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NCC2CC3=C(O2)C(=CC(=C3)C4=CC=C(S4)C(=O)C)Cl

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC[C@@H]2CC3=C(O2)C(=CC(=C3)C4=CC=C(S4)C(=O)C)Cl

InChI

InChI=1S/C21H20ClN3O3S/c1-11-6-17(24-25(11)3)21(27)23-10-15-8-14-7-13(9-16(22)20(14)28-15)19-5-4-18(29-19)12(2)26/h4-7,9,15H,8,10H2,1-3H3,(H,23,27)/t15-/m0/s1