N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-[(6-methyl-1H-benzimidazol-2-yl)thio]acetamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=NC4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSC3=NC4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C22H25N3O3S/c1-4-27-19-9-15-8-14(3)28-20(15)10-16(19)11-23-21(26)12-29-22-24-17-6-5-13(2)7-18(17)25-22/h5-7,9-10,14H,4,8,11-12H2,1-3H3,(H,23,26)(H,24,25)/t14-/m0/s1