ethyl 2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]ethanoate

Systemtic Name: ethyl 2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]ethanoate Openeye Name: ethyl 2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)oxazol-4-yl]acetate CAS Name: 2-[5-ethoxy-2-[4-(hexadecylthio)phenyl]-4-oxazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-ethoxy-2-(4-hexadecylsulfanylphenyl)-1,3-oxazol-4-yl]acetate Traditional Name: 2-[2-[4-(cetylthio)phenyl]-5-ethoxy-oxazol-4-yl]acetic acid ethyl ester Formula: C31H49NO4S MolecularWeight: 531.79006

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC(=C(O2)OCC)CC(=O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCCSC1=CC=C(C=C1)C2=NC(=C(O2)OCC)CC(=O)OCC

InChI

InChI=1S/C31H49NO4S/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-37-27-22-20-26(21-23-27)30-32-28(25-29(33)34-5-2)31(36-30)35-6-3/h20-23H,4-19,24-25H2,1-3H3