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

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-methyl-6-oxidanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-methyl-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-1-methyl-6-oxo-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-1-methyl-6-oxopyrimidine-5-carboxylate Traditional Name: 2-[(2-chlorobenzyl)thio]-6-keto-1-methyl-pyrimidine-5-carboxylic acid ethyl ester Formula: C15H15ClN2O3S MolecularWeight: 338.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClN2O3S/c1-3-21-14(20)11-8-17-15(18(2)13(11)19)22-9-10-6-4-5-7-12(10)16/h4-8H,3,9H2,1-2H3