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

Systemtic Name: ethyl 5-[2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylethanoylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[2-(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)sulfanylacetyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[2-[(5-cyano-2-ethyl-6-methyl-4-pyrimidinyl)thio]-1-oxoethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-(5-cyano-2-ethyl-6-methylpyrimidin-4-yl)sulfanylacetyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[2-[(5-cyano-2-ethyl-6-methyl-pyrimidin-4-yl)thio]acetyl]amino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H20N4O3S2 MolecularWeight: 404.5064

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC(=C(S2)C(=O)OCC)C)C#N)C

Isomeric SMILES

CCC1=NC(=C(C(=N1)SCC(=O)NC2=CC(=C(S2)C(=O)OCC)C)C#N)C

InChI

InChI=1S/C18H20N4O3S2/c1-5-13-20-11(4)12(8-19)17(21-13)26-9-14(23)22-15-7-10(3)16(27-15)18(24)25-6-2/h7H,5-6,9H2,1-4H3,(H,22,23)