N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(4-nitrophenyl)sulfanyl-ethanamide Openeye Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(4-nitrophenyl)sulfanyl-acetamide CAS Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[(4-nitrophenyl)thio]acetamide IUPAC Name: N-[[(2S)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(4-nitrophenyl)sulfanylacetamide Traditional Name: N-[[(2S)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-[(4-nitrophenyl)thio]acetamide Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@@H](O2)C)CNC(=O)CSC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5S/c1-3-26-18-9-14-8-13(2)27-19(14)10-15(18)11-21-20(23)12-28-17-6-4-16(5-7-17)22(24)25/h4-7,9-10,13H,3,8,11-12H2,1-2H3,(H,21,23)/t13-/m0/s1