methyl 2-[[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: methyl 2-[(2-benzylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 2-[[[5-chloro-2-(phenylmethylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[(2-benzylsulfanyl-5-chloropyrimidine-4-carbonyl)amino]benzoate Traditional Name: 2-[[2-(benzylthio)-5-chloro-pyrimidine-4-carbonyl]amino]benzoic acid methyl ester Formula: C20H16ClN3O3S MolecularWeight: 413.87734

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H16ClN3O3S/c1-27-19(26)14-9-5-6-10-16(14)23-18(25)17-15(21)11-22-20(24-17)28-12-13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H,23,25)