ethyl 2-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylethanoylamino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(5-cyano-2,6-dimethyl-pyrimidin-4-yl)sulfanylacetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylate CAS Name: 2-[[2-[(5-cyano-2,6-dimethyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-4-(5-methyl-2-furanyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-cyano-2,6-dimethylpyrimidin-4-yl)sulfanylacetyl]amino]-4-(5-methylfuran-2-yl)thiophene-3-carboxylate Traditional Name: 2-[[2-[(5-cyano-2,6-dimethyl-pyrimidin-4-yl)thio]acetyl]amino]-4-(5-methyl-2-furyl)thiophene-3-carboxylic acid ethyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC(=NC(=C3C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(O2)C)NC(=O)CSC3=NC(=NC(=C3C#N)C)C

InChI

InChI=1S/C21H20N4O4S2/c1-5-28-21(27)18-15(16-7-6-11(2)29-16)9-30-20(18)25-17(26)10-31-19-14(8-22)12(3)23-13(4)24-19/h6-7,9H,5,10H2,1-4H3,(H,25,26)