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

Systemtic Name: 2-thiophen-3-ylethyl 4-(fluoranylmethyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-thienyl)ethyl 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 2-(3-thiophenyl)ethyl ester IUPAC Name: 2-thiophen-3-ylethyl 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 2-(3-thienyl)ethyl ester Formula: C12H13FN2O2S2 MolecularWeight: 300.372223

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC=C1CCOC(=O)C2=CNC(=S)NC2CF

Isomeric SMILES

C1=CSC=C1CCOC(=O)C2=CNC(=S)NC2CF

InChI

InChI=1S/C12H13FN2O2S2/c13-5-10-9(6-14-12(18)15-10)11(16)17-3-1-8-2-4-19-7-8/h2,4,6-7,10H,1,3,5H2,(H2,14,15,18)