methyl 2-(2-azanylidene-4-methylsulfanyl-pyridin-1-yl)-3-methyl-butanoate

Systemtic Name: methyl 2-(2-azanylidene-4-methylsulfanyl-pyridin-1-yl)-3-methyl-butanoate Openeye Name: methyl 2-(2-imino-4-methylsulfanyl-1-pyridyl)-3-methyl-butanoate CAS Name: 2-[2-imino-4-(methylthio)-1-pyridinyl]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-(2-imino-4-methylsulfanylpyridin-1-yl)-3-methylbutanoate Traditional Name: 2-[2-imino-4-(methylthio)-1-pyridyl]-3-methyl-butyric acid methyl ester Formula: C12H18N2O2S MolecularWeight: 254.34852

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)N1C=CC(=CC1=N)SC

Isomeric SMILES

CC(C)C(C(=O)OC)N1C=CC(=CC1=N)SC

InChI

InChI=1S/C12H18N2O2S/c1-8(2)11(12(15)16-3)14-6-5-9(17-4)7-10(14)13/h5-8,11,13H,1-4H3