N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide Openeye Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)isoxazol-3-yl]methyl]-2-methylsulfanyl-pyridine-3-carboxamide CAS Name: N-[[5-(2-methyl-2,3-dihydrobenzofuran-6-yl)-3-isoxazolyl]methyl]-2-(methylthio)-3-pyridinecarboxamide IUPAC Name: N-[[5-(2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-3-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide Traditional Name: N-[[5-(2-methylcoumaran-6-yl)isoxazol-3-yl]methyl]-2-(methylthio)nicotinamide 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)C4=C(N=CC=C4)SC

Isomeric SMILES

CC1CC2=C(O1)C=C(C=C2)C3=CC(=NO3)CNC(=O)C4=C(N=CC=C4)SC

InChI

InChI=1S/C20H19N3O3S/c1-12-8-13-5-6-14(9-17(13)25-12)18-10-15(23-26-18)11-22-19(24)16-4-3-7-21-20(16)27-2/h3-7,9-10,12H,8,11H2,1-2H3,(H,22,24)