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

Systemtic Name: methyl 4-[(2-pyrimidin-2-ylsulfanylethanoylamino)methyl]benzoate Openeye Name: methyl 4-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-pyrimidin-2-ylsulfanylacetyl)amino]methyl]benzoate Traditional Name: 4-[[[2-(2-pyrimidylthio)acetyl]amino]methyl]benzoic acid methyl ester Formula: C15H15N3O3S MolecularWeight: 317.3629

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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