2-azanyl-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propane-1,3-diol

Systemtic Name: 2-azanyl-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propane-1,3-diol Openeye Name: 2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]thiazol-2-yl]propane-1,3-diol CAS Name: 2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]-2-thiazolyl]propane-1,3-diol IUPAC Name: 2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]propane-1,3-diol Traditional Name: 2-amino-2-[5-[4-octoxy-3-(trifluoromethyl)phenyl]thiazol-2-yl]propane-1,3-diol Formula: C21H29F3N2O3S MolecularWeight: 446.52677

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(S2)C(CO)(CO)N)C(F)(F)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CN=C(S2)C(CO)(CO)N)C(F)(F)F

InChI

InChI=1S/C21H29F3N2O3S/c1-2-3-4-5-6-7-10-29-17-9-8-15(11-16(17)21(22,23)24)18-12-26-19(30-18)20(25,13-27)14-28/h8-9,11-12,27-28H,2-7,10,13-14,25H2,1H3