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

Systemtic Name: ethyl 4-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid ethyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H27N3O4S/c1-2-36-28(35)23-13-15-24(16-14-23)30-26(33)20-32-27(34)19-25(22-11-7-4-8-12-22)31-29(32)37-18-17-21-9-5-3-6-10-21/h3-16,19H,2,17-18,20H2,1H3,(H,30,33)