3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propan-1-amine

Systemtic Name: 3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propan-1-amine Openeye Name: 3-hexadecylsulfanyl-2-isoxazol-3-yloxy-propan-1-amine CAS Name: 3-(hexadecylthio)-2-(3-isoxazolyloxy)-1-propanamine IUPAC Name: 3-hexadecylsulfanyl-2-(1,2-oxazol-3-yloxy)propan-1-amine Traditional Name: [3-(cetylthio)-2-isoxazol-3-yloxy-propyl]amine Formula: C22H42N2O2S MolecularWeight: 398.64608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSCC(CN)OC1=NOC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCSCC(CN)OC1=NOC=C1

InChI

InChI=1S/C22H42N2O2S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-27-20-21(19-23)26-22-16-17-25-24-22/h16-17,21H,2-15,18-20,23H2,1H3