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

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(phenylmethylsulfanyl)ethanamide Openeye Name: 2-benzylsulfanyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(phenylmethylthio)acetamide IUPAC Name: 2-benzylsulfanyl-N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]acetamide Traditional Name: 2-(benzylthio)-N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]acetamide Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C21H25NO3S/c1-3-24-19-10-17-9-15(2)25-20(17)11-18(19)12-22-21(23)14-26-13-16-7-5-4-6-8-16/h4-8,10-11,15H,3,9,12-14H2,1-2H3,(H,22,23)/t15-/m0/s1