ethyl 4-[[5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[5-chloranyl-2-[(3-methylphenyl)methylsulfanyl]pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[5-chloro-2-(m-tolylmethylsulfanyl)pyrimidine-4-carbonyl]amino]benzoate CAS Name: 4-[[[5-chloro-2-[(3-methylphenyl)methylthio]-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[5-chloro-2-[(3-methylphenyl)methylsulfanyl]pyrimidine-4-carbonyl]amino]benzoate Traditional Name: 4-[[5-chloro-2-[(3-methylbenzyl)thio]pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C22H20ClN3O3S MolecularWeight: 441.9305

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC(=C3)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Cl)SCC3=CC=CC(=C3)C

InChI

InChI=1S/C22H20ClN3O3S/c1-3-29-21(28)16-7-9-17(10-8-16)25-20(27)19-18(23)12-24-22(26-19)30-13-15-6-4-5-14(2)11-15/h4-12H,3,13H2,1-2H3,(H,25,27)