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

Systemtic Name: butyl 4-(2-pyrimidin-2-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate CAS Name: 4-[[1-oxo-2-(2-pyrimidinylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-pyrimidin-2-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(2-pyrimidylthio)acetyl]amino]benzoic acid butyl ester Formula: C17H19N3O3S MolecularWeight: 345.41606

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O3S/c1-2-3-11-23-16(22)13-5-7-14(8-6-13)20-15(21)12-24-17-18-9-4-10-19-17/h4-10H,2-3,11-12H2,1H3,(H,20,21)