ethyl 6-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H20N4O4S2 MolecularWeight: 456.5379

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC(=C(C=C3C#N)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NC(=C(C=C3C#N)C(=O)C)C

InChI

InChI=1S/C21H20N4O4S2/c1-4-29-20(27)17-15(24-21(28)25-18(17)16-6-5-7-30-16)10-31-19-13(9-22)8-14(12(3)26)11(2)23-19/h5-8,18H,4,10H2,1-3H3,(H2,24,25,28)