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

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]ethanamide Openeye Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide CAS Name: 2-(1H-benzimidazol-2-ylthio)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide IUPAC Name: 2-(1H-benzimidazol-2-ylsulfanyl)-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide Traditional Name: 2-(1H-benzimidazol-2-ylthio)-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]acetamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=NC4=CC=CC=C4N3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C21H23N3O3S/c1-3-26-18-9-14-8-13(2)27-19(14)10-15(18)11-22-20(25)12-28-21-23-16-6-4-5-7-17(16)24-21/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,22,25)(H,23,24)/t13-/m0/s1