5-[(2,6-dimethylphenoxy)methyl]-N-[(4-methylsulfanylphenyl)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[(4-methylsulfanylphenyl)methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[(4-methylsulfanylphenyl)methyl]isoxazole-3-carboxamide CAS Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[[4-(methylthio)phenyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[(4-methylsulfanylphenyl)methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(2,6-dimethylphenoxy)methyl]-N-[4-(methylthio)benzyl]isoxazole-3-carboxamide Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=CC(=NO2)C(=O)NCC3=CC=C(C=C3)SC

InChI

InChI=1S/C21H22N2O3S/c1-14-5-4-6-15(2)20(14)25-13-17-11-19(23-26-17)21(24)22-12-16-7-9-18(27-3)10-8-16/h4-11H,12-13H2,1-3H3,(H,22,24)