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

Systemtic Name: methyl 4-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 4-[[2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C27H23N3O4S MolecularWeight: 485.55422

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23N3O4S/c1-34-26(33)21-12-14-22(15-13-21)28-24(31)17-30-25(32)16-23(20-10-6-3-7-11-20)29-27(30)35-18-19-8-4-2-5-9-19/h2-16H,17-18H2,1H3,(H,28,31)