ethyl 5-cyano-6-methyl-2-oxidanylidene-4-thiophen-3-yl-1,4-dihydropyrimidine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-oxidanylidene-4-thiophen-3-yl-1,4-dihydropyrimidine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-oxo-4-(3-thienyl)-1,4-dihydropyrimidine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-oxo-4-(3-thiophenyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-oxo-4-thiophen-3-yl-1,4-dihydropyrimidine-3-carboxylate Traditional Name: 5-cyano-2-keto-6-methyl-4-(3-thienyl)-1,4-dihydropyrimidine-3-carboxylic acid ethyl ester Formula: C13H13N3O3S MolecularWeight: 291.32562

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CSC=C2

Isomeric SMILES

CCOC(=O)N1C(C(=C(NC1=O)C)C#N)C2=CSC=C2

InChI

InChI=1S/C13H13N3O3S/c1-3-19-13(18)16-11(9-4-5-20-7-9)10(6-14)8(2)15-12(16)17/h4-5,7,11H,3H2,1-2H3,(H,15,17)