ethyl 4-(2-pyridin-2-ylsulfanylethanoylamino)butanoate

Systemtic Name: ethyl 4-(2-pyridin-2-ylsulfanylethanoylamino)butanoate Openeye Name: ethyl 4-[[2-(2-pyridylsulfanyl)acetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[(2-pyridin-2-ylsulfanylacetyl)amino]butanoate Traditional Name: 4-[[2-(2-pyridylthio)acetyl]amino]butyric acid ethyl ester Formula: C13H18N2O3S MolecularWeight: 282.35862

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=CC=CC=N1

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=CC=CC=N1

InChI

InChI=1S/C13H18N2O3S/c1-2-18-13(17)7-5-9-14-11(16)10-19-12-6-3-4-8-15-12/h3-4,6,8H,2,5,7,9-10H2,1H3,(H,14,16)