4-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]benzoate

Systemtic Name: 4-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: 4-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]methyl]benzoate IUPAC Name: 4-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-pyrimidylthio)acetyl]amino]methyl]benzoate Formula: C14H12N3O3S- MolecularWeight: 302.32838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SCC(=O)NCC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C14H13N3O3S/c18-12(9-21-14-15-6-1-7-16-14)17-8-10-2-4-11(5-3-10)13(19)20/h1-7H,8-9H2,(H,17,18)(H,19,20)/p-1