propyl 4-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC=N2

InChI

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