N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]isoxazole-3-carboxamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[[2-(methylthio)phenoxy]methyl]-3-isoxazolecarboxamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazole-3-carboxamide Traditional Name: N-homoveratryl-5-[[2-(methylthio)phenoxy]methyl]isoxazole-3-carboxamide Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)C2=NOC(=C2)COC3=CC=CC=C3SC)OC

InChI

InChI=1S/C22H24N2O5S/c1-26-18-9-8-15(12-20(18)27-2)10-11-23-22(25)17-13-16(29-24-17)14-28-19-6-4-5-7-21(19)30-3/h4-9,12-13H,10-11,14H2,1-3H3,(H,23,25)