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

Systemtic Name: methyl 4-[2-(3-azanylpyridin-2-yl)sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[(3-amino-2-pyridyl)sulfanyl]acetyl]amino]butanoate CAS Name: 4-[[2-[(3-amino-2-pyridinyl)thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-aminopyridin-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(3-amino-2-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=CC=N1)N

Isomeric SMILES

COC(=O)CCCNC(=O)CSC1=C(C=CC=N1)N

InChI

InChI=1S/C12H17N3O3S/c1-18-11(17)5-3-6-14-10(16)8-19-12-9(13)4-2-7-15-12/h2,4,7H,3,5-6,8,13H2,1H3,(H,14,16)