butyl 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate

Systemtic Name: butyl 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Openeye Name: butyl 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate CAS Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]propanoic acid butyl ester IUPAC Name: butyl 3-[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanoate Traditional Name: 3-[[4-(1,3-benzodioxol-5-yl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]propionic acid butyl ester Formula: C19H19F3N2O4S MolecularWeight: 428.42537

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCCOC(=O)CCSC1=NC(=CC(=N1)C(F)(F)F)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H19F3N2O4S/c1-2-3-7-26-17(25)6-8-29-18-23-13(10-16(24-18)19(20,21)22)12-4-5-14-15(9-12)28-11-27-14/h4-5,9-10H,2-3,6-8,11H2,1H3