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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NO1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC

Isomeric SMILES

CCC1=CC(=NO1)C(=O)NCC2CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)SC

InChI

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