ethyl 1-ethyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-ethyl-6-oxidanylidene-2-phenethylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 1-ethyl-6-oxo-2-phenethylsulfanyl-pyrimidine-5-carboxylate CAS Name: 1-ethyl-6-oxo-2-(phenethylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-ethyl-6-oxo-2-phenethylsulfanylpyrimidine-5-carboxylate Traditional Name: 1-ethyl-6-keto-2-(phenethylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN=C1SCCC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(=CN=C1SCCC2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C17H20N2O3S/c1-3-19-15(20)14(16(21)22-4-2)12-18-17(19)23-11-10-13-8-6-5-7-9-13/h5-9,12H,3-4,10-11H2,1-2H3