ethyl 4-(2-pyridin-2-ylsulfanylbutanoylamino)benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC=N2

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)C(=O)OCC)SC2=CC=CC=N2

InChI

InChI=1S/C18H20N2O3S/c1-3-15(24-16-7-5-6-12-19-16)17(21)20-14-10-8-13(9-11-14)18(22)23-4-2/h5-12,15H,3-4H2,1-2H3,(H,20,21)