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

Systemtic Name: propyl 4-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C29H26ClN3O4S MolecularWeight: 548.05244

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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