5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylsulfanyl-phenoxy]heptyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylsulfanyl-phenoxy]heptyl]-3-methyl-1,2-oxazole Openeye Name: 5-[7-[4-(4,5-dihydrooxazol-2-yl)-2-methylsulfanyl-phenoxy]heptyl]-3-methyl-isoxazole CAS Name: 5-[7-[4-(4,5-dihydrooxazol-2-yl)-2-(methylthio)phenoxy]heptyl]-3-methylisoxazole IUPAC Name: 5-[7-[4-(4,5-dihydro-1,3-oxazol-2-yl)-2-methylsulfanylphenoxy]heptyl]-3-methyl-1,2-oxazole Traditional Name: 3-methyl-5-[7-[2-(methylthio)-4-(2-oxazolin-2-yl)phenoxy]heptyl]isoxazole Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CCCCCCCOC2=C(C=C(C=C2)C3=NCCO3)SC

Isomeric SMILES

CC1=NOC(=C1)CCCCCCCOC2=C(C=C(C=C2)C3=NCCO3)SC

InChI

InChI=1S/C21H28N2O3S/c1-16-14-18(26-23-16)8-6-4-3-5-7-12-24-19-10-9-17(15-20(19)27-2)21-22-11-13-25-21/h9-10,14-15H,3-8,11-13H2,1-2H3