methyl 2-[[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[3-(pyrimidin-2-ylsulfanylmethyl)phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[3-(pyrimidin-2-ylsulfanylmethyl)benzoyl]amino]benzoate CAS Name: 2-[[oxo-[3-[(2-pyrimidinylthio)methyl]phenyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[3-(pyrimidin-2-ylsulfanylmethyl)benzoyl]amino]benzoate Traditional Name: 2-[[3-[(2-pyrimidylthio)methyl]benzoyl]amino]benzoic acid methyl ester Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CSC3=NC=CC=N3

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC(=CC=C2)CSC3=NC=CC=N3

InChI

InChI=1S/C20H17N3O3S/c1-26-19(25)16-8-2-3-9-17(16)23-18(24)15-7-4-6-14(12-15)13-27-20-21-10-5-11-22-20/h2-12H,13H2,1H3,(H,23,24)