ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoate

Systemtic Name: ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxidanylidene-pyrimidin-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxo-pyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-4-methyl-6-oxo-1-pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-4-methyl-6-oxopyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-6-keto-4-methyl-pyrimidin-1-yl]methyl]benzoic acid ethyl ester Formula: C22H21ClN2O3S MolecularWeight: 428.93174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C

InChI

InChI=1S/C22H21ClN2O3S/c1-3-28-21(27)17-10-8-16(9-11-17)13-25-20(26)12-15(2)24-22(25)29-14-18-6-4-5-7-19(18)23/h4-12H,3,13-14H2,1-2H3