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

Systemtic Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydrobenzofuran-6-yl]methyl]-2-[(1-methyl-2-imidazolyl)thio]acetamide IUPAC Name: N-[[(2R)-5-ethoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl]methyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide Traditional Name: N-[[(2R)-5-ethoxy-2-methyl-coumaran-6-yl]methyl]-2-[(1-methylimidazol-2-yl)thio]acetamide Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C1)CC(O2)C)CNC(=O)CSC3=NC=CN3C

Isomeric SMILES

CCOC1=C(C=C2C(=C1)C[C@H](O2)C)CNC(=O)CSC3=NC=CN3C

InChI

InChI=1S/C18H23N3O3S/c1-4-23-15-8-13-7-12(2)24-16(13)9-14(15)10-20-17(22)11-25-18-19-5-6-21(18)3/h5-6,8-9,12H,4,7,10-11H2,1-3H3,(H,20,22)/t12-/m1/s1