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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-quinolin-2-ylsulfanyl-ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(2-quinolylsulfanyl)acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(2-quinolinylthio)acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-quinolin-2-ylsulfanylacetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-(2-quinolylthio)acetamide Formula: C23H24N2O3S MolecularWeight: 408.51326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C23H24N2O3S/c1-3-27-20-11-17-10-15(2)28-21(17)12-18(20)13-24-22(26)14-29-23-9-8-16-6-4-5-7-19(16)25-23/h4-9,11-12,15H,3,10,13-14H2,1-2H3,(H,24,26)/t15-/m0/s1