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

Systemtic Name: methyl 4-[(2-pyrimidin-2-ylsulfanylpropanoylamino)methyl]benzoate Openeye Name: methyl 4-[(2-pyrimidin-2-ylsulfanylpropanoylamino)methyl]benzoate CAS Name: 4-[[[1-oxo-2-(2-pyrimidinylthio)propyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(2-pyrimidin-2-ylsulfanylpropanoylamino)methyl]benzoate Traditional Name: 4-[[2-(2-pyrimidylthio)propanoylamino]methyl]benzoic acid methyl ester Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=CC=N2

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=CC=N2

InChI

InChI=1S/C16H17N3O3S/c1-11(23-16-17-8-3-9-18-16)14(20)19-10-12-4-6-13(7-5-12)15(21)22-2/h3-9,11H,10H2,1-2H3,(H,19,20)