7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(5-methylthiophen-2-yl)heptan-1-one

Systemtic Name: 7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(5-methylthiophen-2-yl)heptan-1-one Openeye Name: 7-[4-(4,5-dihydrooxazol-2-yl)phenoxy]-1-(5-methyl-2-thienyl)heptan-1-one CAS Name: 7-[4-(4,5-dihydrooxazol-2-yl)phenoxy]-1-(5-methyl-2-thiophenyl)-1-heptanone IUPAC Name: 7-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]-1-(5-methylthiophen-2-yl)heptan-1-one Traditional Name: 1-(5-methyl-2-thienyl)-7-[4-(2-oxazolin-2-yl)phenoxy]heptan-1-one Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CCCCCCOC2=CC=C(C=C2)C3=NCCO3

Isomeric SMILES

CC1=CC=C(S1)C(=O)CCCCCCOC2=CC=C(C=C2)C3=NCCO3

InChI

InChI=1S/C21H25NO3S/c1-16-7-12-20(26-16)19(23)6-4-2-3-5-14-24-18-10-8-17(9-11-18)21-22-13-15-25-21/h7-12H,2-6,13-15H2,1H3