ethyl 2-(cyanomethylsulfanyl)-6-methyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(cyanomethylsulfanyl)-6-methyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-(cyanomethylsulfanyl)-6-methyl-4-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(cyanomethylthio)-6-methyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(cyanomethylsulfanyl)-6-methyl-4-thiophen-2-yl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(cyanomethylthio)-6-methyl-4-(2-thienyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C14H15N3O2S2 MolecularWeight: 321.4178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O2S2/c1-3-19-13(18)11-9(2)16-14(21-8-6-15)17-12(11)10-5-4-7-20-10/h4-5,7,12H,3,8H2,1-2H3,(H,16,17)