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

Systemtic Name: ethyl 4-[(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)methyl]benzoate Openeye Name: ethyl 4-[(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)methyl]benzoate CAS Name: 4-[[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)methyl]benzoate Traditional Name: 4-[[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]methyl]benzoic acid ethyl ester Formula: C28H26N2O3S MolecularWeight: 470.58264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CN2C(=O)C=C(N=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C28H26N2O3S/c1-2-33-27(32)24-15-13-22(14-16-24)20-30-26(31)19-25(23-11-7-4-8-12-23)29-28(30)34-18-17-21-9-5-3-6-10-21/h3-16,19H,2,17-18,20H2,1H3