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

Systemtic Name: methyl 4-[2-(3-azanylpyridin-4-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(3-amino-4-pyridyl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(3-amino-4-pyridinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-aminopyridin-4-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-amino-4-pyridyl)thio]acetyl]amino]butyric acid methyl ester Formula: C12H17N3O3S MolecularWeight: 283.34668

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3S/c1-18-12(17)3-2-5-15-11(16)8-19-10-4-6-14-7-9(10)13/h4,6-7H,2-3,5,8,13H2,1H3,(H,15,16)