ethyl 4-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-benzylsulfanyl-2-(2-thienyl)pyrimidine-5-carboxylate CAS Name: 4-(phenylmethylthio)-2-thiophen-2-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-benzylsulfanyl-2-thiophen-2-ylpyrimidine-5-carboxylate Traditional Name: 4-(benzylthio)-2-(2-thienyl)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H16N2O2S2 MolecularWeight: 356.46184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SCC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SCC2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C18H16N2O2S2/c1-2-22-18(21)14-11-19-16(15-9-6-10-23-15)20-17(14)24-12-13-7-4-3-5-8-13/h3-11H,2,12H2,1H3