methyl 3-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: methyl 3-[[2-(6-oxo-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[6-oxo-2-(phenethylthio)-4-phenyl-1-pyrimidinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(6-oxo-2-phenethylsulfanyl-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[6-keto-2-(phenethylthio)-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C28H25N3O4S MolecularWeight: 499.5808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H25N3O4S/c1-35-27(34)22-13-8-14-23(17-22)29-25(32)19-31-26(33)18-24(21-11-6-3-7-12-21)30-28(31)36-16-15-20-9-4-2-5-10-20/h2-14,17-18H,15-16,19H2,1H3,(H,29,32)