butyl 2-(3-azanylpyridin-4-yl)sulfanylethanoate

Systemtic Name: butyl 2-(3-azanylpyridin-4-yl)sulfanylethanoate Openeye Name: butyl 2-[(3-amino-4-pyridyl)sulfanyl]acetate CAS Name: 2-[(3-amino-4-pyridinyl)thio]acetic acid butyl ester IUPAC Name: butyl 2-(3-aminopyridin-4-yl)sulfanylacetate Traditional Name: 2-[(3-amino-4-pyridyl)thio]acetic acid butyl ester Formula: C11H16N2O2S MolecularWeight: 240.32194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=NC=C1)N

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=NC=C1)N

InChI

InChI=1S/C11H16N2O2S/c1-2-3-6-15-11(14)8-16-10-4-5-13-7-9(10)12/h4-5,7H,2-3,6,8,12H2,1H3