ethyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-[(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(4-fluoroanilino)-2-oxo-ethyl]sulfanyl-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[[2-(4-fluoroanilino)-2-oxoethyl]thio]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-fluoroanilino)-2-oxoethyl]sulfanyl-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[[2-(4-fluoroanilino)-2-keto-ethyl]thio]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C16H16FN3O3S2 MolecularWeight: 381.444943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=CC=C(C=C2)F)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC(=O)NC2=CC=C(C=C2)F)SC

InChI

InChI=1S/C16H16FN3O3S2/c1-3-23-15(22)12-8-18-16(24-2)20-14(12)25-9-13(21)19-11-6-4-10(17)5-7-11/h4-8H,3,9H2,1-2H3,(H,19,21)