N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-[2-(1-cyclohexenyl)ethyl]-5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-[2-(cyclohexen-1-yl)ethyl]-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C20H24N2O3S MolecularWeight: 372.48116

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCC3=CCCCC3

Isomeric SMILES

CSC1=CC=CC=C1OCC2=CC(=NO2)C(=O)NCCC3=CCCCC3

InChI

InChI=1S/C20H24N2O3S/c1-26-19-10-6-5-9-18(19)24-14-16-13-17(22-25-16)20(23)21-12-11-15-7-3-2-4-8-15/h5-7,9-10,13H,2-4,8,11-12,14H2,1H3,(H,21,23)