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

Systemtic Name: methyl 3-[3-(5-azanyl-2-oxidanylidene-pyridin-1-yl)propylsulfanyl]propanoate Openeye Name: methyl 3-[3-(5-amino-2-oxo-1-pyridyl)propylsulfanyl]propanoate CAS Name: 3-[3-(5-amino-2-oxo-1-pyridinyl)propylthio]propanoic acid methyl ester IUPAC Name: methyl 3-[3-(5-amino-2-oxopyridin-1-yl)propylsulfanyl]propanoate Traditional Name: 3-[3-(5-amino-2-keto-1-pyridyl)propylthio]propionic acid methyl ester Formula: C12H18N2O3S MolecularWeight: 270.34792

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCCCN1C=C(C=CC1=O)N

Isomeric SMILES

COC(=O)CCSCCCN1C=C(C=CC1=O)N

InChI

InChI=1S/C12H18N2O3S/c1-17-12(16)5-8-18-7-2-6-14-9-10(13)3-4-11(14)15/h3-4,9H,2,5-8,13H2,1H3