3-thiophen-3-ylpropyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 3-thiophen-3-ylpropyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 3-(3-thienyl)propyl 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thiophenyl)propyl ester IUPAC Name: 3-thiophen-3-ylpropyl 4-(fluoromethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(fluoromethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 3-(3-thienyl)propyl ester Formula: C14H17FN2O2S2 MolecularWeight: 328.425383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCC2=CSC=C2

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCCC2=CSC=C2

InChI

InChI=1S/C14H17FN2O2S2/c1-9-12(11(7-15)17-14(20)16-9)13(18)19-5-2-3-10-4-6-21-8-10/h4,6,8,11H,2-3,5,7H2,1H3,(H2,16,17,20)