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

Systemtic Name: methyl 2-[3-(5-azanyl-2-oxidanylidene-pyridin-1-yl)propylsulfanyl]ethanoate Openeye Name: methyl 2-[3-(5-amino-2-oxo-1-pyridyl)propylsulfanyl]acetate CAS Name: 2-[3-(5-amino-2-oxo-1-pyridinyl)propylthio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(5-amino-2-oxopyridin-1-yl)propylsulfanyl]acetate Traditional Name: 2-[3-(5-amino-2-keto-1-pyridyl)propylthio]acetic acid methyl ester Formula: C11H16N2O3S MolecularWeight: 256.32134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSCCCN1C=C(C=CC1=O)N

Isomeric SMILES

COC(=O)CSCCCN1C=C(C=CC1=O)N

InChI

InChI=1S/C11H16N2O3S/c1-16-11(15)8-17-6-2-5-13-7-9(12)3-4-10(13)14/h3-4,7H,2,5-6,8,12H2,1H3