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

Systemtic Name: propan-2-yl 3-[2-(6-oxidanylidene-2-phenethylsulfanyl-4-phenyl-pyrimidin-1-yl)ethanoylamino]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C30H29N3O4S MolecularWeight: 527.63396

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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=C2SCCC3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H29N3O4S/c1-21(2)37-29(36)24-14-9-15-25(18-24)31-27(34)20-33-28(35)19-26(23-12-7-4-8-13-23)32-30(33)38-17-16-22-10-5-3-6-11-22/h3-15,18-19,21H,16-17,20H2,1-2H3,(H,31,34)