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

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(cyanomethyl)-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(cyanomethyl)-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-(cyanomethyl)-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-(cyanomethyl)-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-1-(cyanomethyl)-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H14ClN3O3S MolecularWeight: 363.81866

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC#N)SCC2=CC=CC=C2Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC#N)SCC2=CC=CC=C2Cl

InChI

InChI=1S/C16H14ClN3O3S/c1-2-23-15(22)12-9-19-16(20(8-7-18)14(12)21)24-10-11-5-3-4-6-13(11)17/h3-6,9H,2,8,10H2,1H3