ethyl 5-(4-fluorophenyl)-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 5-(4-fluorophenyl)-3-[2-[(4-oxidanylidene-6-propyl-1H-pyrimidin-2-yl)sulfanyl]ethanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 5-(4-fluorophenyl)-3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate CAS Name: 5-(4-fluorophenyl)-3-[[1-oxo-2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)thio]ethyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-fluorophenyl)-3-[[2-[(4-oxo-6-propyl-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]thiophene-2-carboxylate Traditional Name: 5-(4-fluorophenyl)-3-[[2-[(4-keto-6-propyl-1H-pyrimidin-2-yl)thio]acetyl]amino]thiophene-2-carboxylic acid ethyl ester Formula: C22H22FN3O4S2 MolecularWeight: 475.556183

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)OCC

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)SCC(=O)NC2=C(SC(=C2)C3=CC=C(C=C3)F)C(=O)OCC

InChI

InChI=1S/C22H22FN3O4S2/c1-3-5-15-10-18(27)26-22(24-15)31-12-19(28)25-16-11-17(13-6-8-14(23)9-7-13)32-20(16)21(29)30-4-2/h6-11H,3-5,12H2,1-2H3,(H,25,28)(H,24,26,27)