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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)NC(=O)CSC3=C(C=CC(=C3)C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-5-24-19-10-16-9-15(4)25-18(16)11-17(19)22-21(23)12-26-20-8-13(2)6-7-14(20)3/h6-8,10-11,15H,5,9,12H2,1-4H3,(H,22,23)/t15-/m0/s1