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

Systemtic Name: ethyl 2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-1-(phenylmethyl)pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-pyrimidine-5-carboxylate CAS Name: 2-[(2-chlorophenyl)methylthio]-6-oxo-1-(phenylmethyl)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-2-[(2-chlorophenyl)methylsulfanyl]-6-oxopyrimidine-5-carboxylate Traditional Name: 1-benzyl-2-[(2-chlorobenzyl)thio]-6-keto-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H19ClN2O3S MolecularWeight: 414.90516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=CC=C2)SCC3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CN=C(N(C1=O)CC2=CC=CC=C2)SCC3=CC=CC=C3Cl

InChI

InChI=1S/C21H19ClN2O3S/c1-2-27-20(26)17-12-23-21(28-14-16-10-6-7-11-18(16)22)24(19(17)25)13-15-8-4-3-5-9-15/h3-12H,2,13-14H2,1H3