ethyl 4-[2-(6-azanylpyridin-3-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(6-azanylpyridin-3-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(6-amino-3-pyridyl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(6-amino-3-pyridinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(6-aminopyridin-3-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(6-amino-3-pyridyl)thio]acetyl]amino]butyric acid ethyl ester Formula: C13H19N3O3S MolecularWeight: 297.37326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)CSC1=CN=C(C=C1)N

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=CN=C(C=C1)N

InChI

InChI=1S/C13H19N3O3S/c1-2-19-13(18)4-3-7-15-12(17)9-20-10-5-6-11(14)16-8-10/h5-6,8H,2-4,7,9H2,1H3,(H2,14,16)(H,15,17)