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

Systemtic Name: ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]methyl]benzoate Openeye Name: ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]methyl]benzoate CAS Name: 4-[[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]methyl]benzoate Traditional Name: 4-[[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid ethyl ester Formula: C27H23ClN2O3S MolecularWeight: 491.00112

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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)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C27H23ClN2O3S/c1-2-33-26(32)21-14-12-19(13-15-21)17-30-25(31)16-24(20-8-4-3-5-9-20)29-27(30)34-18-22-10-6-7-11-23(22)28/h3-16H,2,17-18H2,1H3