methyl 3-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 3-[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxidanylidene-4-phenyl-pyrimidin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoate CAS Name: 3-[[2-[2-[(2-chlorophenyl)methylthio]-6-oxo-4-phenyl-1-pyrimidinyl]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-[(2-chlorophenyl)methylsulfanyl]-6-oxo-4-phenylpyrimidin-1-yl]acetyl]amino]benzoate Traditional Name: 3-[[2-[2-[(2-chlorobenzyl)thio]-6-keto-4-phenyl-pyrimidin-1-yl]acetyl]amino]benzoic acid methyl ester Formula: C27H22ClN3O4S MolecularWeight: 519.99928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H22ClN3O4S/c1-35-26(34)19-11-7-12-21(14-19)29-24(32)16-31-25(33)15-23(18-8-3-2-4-9-18)30-27(31)36-17-20-10-5-6-13-22(20)28/h2-15H,16-17H2,1H3,(H,29,32)