ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxidanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-ethyl-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-ethyl-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-1-ethyl-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H17ClN2O3S MolecularWeight: 352.83578

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=CN=C1SCC2=CC=CC=C2Cl)C(=O)OCC

Isomeric SMILES

CCN1C(=O)C(=CN=C1SCC2=CC=CC=C2Cl)C(=O)OCC

InChI

InChI=1S/C16H17ClN2O3S/c1-3-19-14(20)12(15(21)22-4-2)9-18-16(19)23-10-11-7-5-6-8-13(11)17/h5-9H,3-4,10H2,1-2H3