N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide

Systemtic Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-pyridin-4-ylsulfanyl-ethanamide Openeye Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)isoxazol-3-yl]methyl]-2-(4-pyridylsulfanyl)acetamide CAS Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)-3-isoxazolyl]methyl]-2-(pyridin-4-ylthio)acetamide IUPAC Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-pyridin-4-ylsulfanylacetamide Traditional Name: N-[[5-(2-methylcoumaran-6-yl)isoxazol-3-yl]methyl]-2-(4-pyridylthio)acetamide Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)CSC4=CC=NC=C4

Isomeric SMILES

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)CSC4=CC=NC=C4

InChI

InChI=1S/C20H19N3O3S/c1-13-8-14-2-3-15(9-18(14)25-13)19-10-16(23-26-19)11-22-20(24)12-27-17-4-6-21-7-5-17/h2-7,9-10,13H,8,11-12H2,1H3,(H,22,24)