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

Systemtic Name: butyl 4-(2-pyridin-4-ylsulfanylethanoylamino)benzoate Openeye Name: butyl 4-[[2-(4-pyridylsulfanyl)acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-(pyridin-4-ylthio)ethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[(2-pyridin-4-ylsulfanylacetyl)amino]benzoate Traditional Name: 4-[[2-(4-pyridylthio)acetyl]amino]benzoic acid butyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=NC=C2

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=CC=NC=C2

InChI

InChI=1S/C18H20N2O3S/c1-2-3-12-23-18(22)14-4-6-15(7-5-14)20-17(21)13-24-16-8-10-19-11-9-16/h4-11H,2-3,12-13H2,1H3,(H,20,21)