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

Systemtic Name: ethyl 4-[[5-chloranyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[(2-benzylsulfanyl-5-chloro-pyrimidine-4-carbonyl)amino]benzoate CAS Name: 4-[[[5-chloro-2-(phenylmethylthio)-4-pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-benzylsulfanyl-5-chloropyrimidine-4-carbonyl)amino]benzoate Traditional Name: 4-[[2-(benzylthio)-5-chloro-pyrimidine-4-carbonyl]amino]benzoic acid ethyl ester Formula: C21H18ClN3O3S MolecularWeight: 427.90392

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O3S/c1-2-28-20(27)15-8-10-16(11-9-15)24-19(26)18-17(22)12-23-21(25-18)29-13-14-6-4-3-5-7-14/h3-12H,2,13H2,1H3,(H,24,26)