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

Systemtic Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-ethanamide Openeye Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)isoxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanyl-acetamide CAS Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)-3-isoxazolyl]methyl]-2-(2-pyrimidinylthio)acetamide IUPAC Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-pyrimidin-2-ylsulfanylacetamide Traditional Name: N-[[5-(2-methylcoumaran-6-yl)isoxazol-3-yl]methyl]-2-(2-pyrimidylthio)acetamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)CSC4=NC=CC=N4

Isomeric SMILES

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)CSC4=NC=CC=N4

InChI

InChI=1S/C19H18N4O3S/c1-12-7-13-3-4-14(8-16(13)25-12)17-9-15(23-26-17)10-22-18(24)11-27-19-20-5-2-6-21-19/h2-6,8-9,12H,7,10-11H2,1H3,(H,22,24)