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

Systemtic Name: methyl 2-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoate Openeye Name: methyl 2-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoate CAS Name: 2-[[1-oxo-3-(2-pyrimidinylthio)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-(3-pyrimidin-2-ylsulfanylpropanoylamino)benzoate Traditional Name: 2-[3-(2-pyrimidylthio)propanoylamino]benzoic acid methyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC=CC=N2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)CCSC2=NC=CC=N2

InChI

InChI=1S/C15H15N3O3S/c1-21-14(20)11-5-2-3-6-12(11)18-13(19)7-10-22-15-16-8-4-9-17-15/h2-6,8-9H,7,10H2,1H3,(H,18,19)