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

Systemtic Name: propan-2-yl 3-[2-[6-oxidanylidene-4-phenyl-2-(phenylmethylsulfanyl)pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 3-[[2-(2-benzylsulfanyl-6-oxo-4-phenyl-pyrimidin-1-yl)acetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[6-oxo-4-phenyl-2-(phenylmethylthio)-1-pyrimidinyl]ethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 3-[[2-(2-benzylsulfanyl-6-oxo-4-phenylpyrimidin-1-yl)acetyl]amino]benzoate Traditional Name: 3-[[2-[2-(benzylthio)-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C29H27N3O4S MolecularWeight: 513.60738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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