2-(5-nitrothiophen-3-yl)ethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(5-nitrothiophen-3-yl)ethyl 4-(fluoranylmethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(5-nitro-3-thienyl)ethyl 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 2-(5-nitro-3-thiophenyl)ethyl ester IUPAC Name: 2-(5-nitrothiophen-3-yl)ethyl 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 2-(5-nitro-3-thienyl)ethyl ester Formula: C13H14FN3O4S2 MolecularWeight: 359.396363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CF)C(=O)OCCC2=CSC(=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(NC(=S)N1)CF)C(=O)OCCC2=CSC(=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H14FN3O4S2/c1-7-11(9(5-14)16-13(22)15-7)12(18)21-3-2-8-4-10(17(19)20)23-6-8/h4,6,9H,2-3,5H2,1H3,(H2,15,16,22)