3-thiophen-2-ylpropyl 4-(fluoranylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-thiophen-2-ylpropyl 4-(fluoranylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(2-thienyl)propyl 4-(fluoromethyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-thiophen-2-ylpropyl ester IUPAC Name: 3-thiophen-2-ylpropyl 4-(fluoromethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(2-thienyl)propyl ester Formula: C13H15FN2O2S2 MolecularWeight: 314.398803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)CCCOC(=O)C2=CNC(=S)NC2CF

Isomeric SMILES

C1=CSC(=C1)CCCOC(=O)C2=CNC(=S)NC2CF

InChI

InChI=1S/C13H15FN2O2S2/c14-7-11-10(8-15-13(19)16-11)12(17)18-5-1-3-9-4-2-6-20-9/h2,4,6,8,11H,1,3,5,7H2,(H2,15,16,19)