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

Systemtic Name: ethyl 4-[2-(3-azanylpyridin-4-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[(3-amino-4-pyridyl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(3-amino-4-pyridinyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3-aminopyridin-4-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-amino-4-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=C(C=NC=C1)N

Isomeric SMILES

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

InChI

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