ethyl 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(1,3-benzodioxol-5-yl)-2-sulfanylidene-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(1,3-benzodioxol-5-yl)-2-thioxo-6-(trifluoromethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H13F3N2O4S MolecularWeight: 374.33493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2)OCO3)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC3=C(C=C2)OCO3)C(F)(F)F

InChI

InChI=1S/C15H13F3N2O4S/c1-2-22-13(21)10-11(19-14(25)20-12(10)15(16,17)18)7-3-4-8-9(5-7)24-6-23-8/h3-5,11H,2,6H2,1H3,(H2,19,20,25)