3,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-oxazole-4-carboxamide Openeye Name: 3,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]isoxazole-4-carboxamide CAS Name: 3,5-dimethyl-N-[[5-[4-(methylthio)phenyl]-2,3-dihydrobenzofuran-2-yl]methyl]-4-isoxazolecarboxamide IUPAC Name: 3,5-dimethyl-N-[[5-(4-methylsulfanylphenyl)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1,2-oxazole-4-carboxamide Traditional Name: 3,5-dimethyl-N-[[5-[4-(methylthio)phenyl]coumaran-2-yl]methyl]isoxazole-4-carboxamide Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CC1=C(C(=NO1)C)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC

InChI

InChI=1S/C22H22N2O3S/c1-13-21(14(2)27-24-13)22(25)23-12-18-11-17-10-16(6-9-20(17)26-18)15-4-7-19(28-3)8-5-15/h4-10,18H,11-12H2,1-3H3,(H,23,25)