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

Systemtic Name: ethyl 4-(4-chlorophenyl)-6-[(3-cyano-5-ethanoyl-6-methyl-pyridin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-acetyl-3-cyano-6-methyl-2-pyridyl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-acetyl-3-cyano-6-methyl-2-pyridinyl)thio]methyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-acetyl-3-cyano-6-methylpyridin-2-yl)sulfanylmethyl]-4-(4-chlorophenyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-acetyl-3-cyano-6-methyl-2-pyridyl)thio]methyl]-4-(4-chlorophenyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H21ClN4O4S MolecularWeight: 484.95524

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NC(=C(C=C3C#N)C(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NC(=C(C=C3C#N)C(=O)C)C

InChI

InChI=1S/C23H21ClN4O4S/c1-4-32-22(30)19-18(27-23(31)28-20(19)14-5-7-16(24)8-6-14)11-33-21-15(10-25)9-17(13(3)29)12(2)26-21/h5-9,20H,4,11H2,1-3H3,(H2,27,28,31)