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

Systemtic Name: propan-2-yl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: isopropyl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid isopropyl ester Formula: C29H26ClN3O4S MolecularWeight: 548.05244

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CN2C(=O)C=C(N=C2SCC3=CC=CC=C3Cl)C4=CC=CC=C4

InChI

InChI=1S/C29H26ClN3O4S/c1-19(2)37-28(36)21-12-14-23(15-13-21)31-26(34)17-33-27(35)16-25(20-8-4-3-5-9-20)32-29(33)38-18-22-10-6-7-11-24(22)30/h3-16,19H,17-18H2,1-2H3,(H,31,34)