ethyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-oxidopyridin-1-ium-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-oxidopyridin-1-ium-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C13H18N2O4S MolecularWeight: 298.35802

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=CC=CC=[N+]1[O-]

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=CC=CC=[N+]1[O-]

InChI

InChI=1S/C13H18N2O4S/c1-2-19-13(17)7-5-8-14-11(16)10-20-12-6-3-4-9-15(12)18/h3-4,6,9H,2,5,7-8,10H2,1H3,(H,14,16)