methyl 4-chloranyl-3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate

Systemtic Name: methyl 4-chloranyl-3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 4-chloro-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate CAS Name: 4-chloro-3-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-chloro-3-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid methyl ester Formula: C14H12ClN3O3S MolecularWeight: 337.78138

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)Cl)NC(=O)CSC2=NC=CC=N2

InChI

InChI=1S/C14H12ClN3O3S/c1-21-13(20)9-3-4-10(15)11(7-9)18-12(19)8-22-14-16-5-2-6-17-14/h2-7H,8H2,1H3,(H,18,19)