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

Systemtic Name: methyl 3-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate Openeye Name: methyl 3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate CAS Name: 3-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 3-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid methyl ester Formula: C14H13N3O3S MolecularWeight: 303.33632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O3S/c1-20-13(19)10-4-2-5-11(8-10)17-12(18)9-21-14-15-6-3-7-16-14/h2-8H,9H2,1H3,(H,17,18)