methyl 3-[2-(5-azanyl-2-oxidanylidene-pyridin-1-yl)ethylsulfanyl]propanoate

Systemtic Name: methyl 3-[2-(5-azanyl-2-oxidanylidene-pyridin-1-yl)ethylsulfanyl]propanoate Openeye Name: methyl 3-[2-(5-amino-2-oxo-1-pyridyl)ethylsulfanyl]propanoate CAS Name: 3-[2-(5-amino-2-oxo-1-pyridinyl)ethylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(5-amino-2-oxopyridin-1-yl)ethylsulfanyl]propanoate Traditional Name: 3-[2-(5-amino-2-keto-1-pyridyl)ethylthio]propionic acid methyl ester Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCN1C=C(C=CC1=O)N

Isomeric SMILES

COC(=O)CCSCCN1C=C(C=CC1=O)N

InChI

InChI=1S/C11H16N2O3S/c1-16-11(15)4-6-17-7-5-13-8-9(12)2-3-10(13)14/h2-3,8H,4-7,12H2,1H3