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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=C(C=NC=C1)N

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=C(C=NC=C1)N

InChI

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