methyl (2E)-2-[(4-azanyl-6-methylsulfanyl-pyridin-3-yl)methylidene]butanoate

Systemtic Name: methyl (2E)-2-[(4-azanyl-6-methylsulfanyl-pyridin-3-yl)methylidene]butanoate Openeye Name: methyl (2E)-2-[(4-amino-6-methylsulfanyl-3-pyridyl)methylene]butanoate CAS Name: (2E)-2-[[4-amino-6-(methylthio)-3-pyridinyl]methylidene]butanoic acid methyl ester IUPAC Name: methyl (2E)-2-[(4-amino-6-methylsulfanylpyridin-3-yl)methylidene]butanoate Traditional Name: (E)-3-[4-amino-6-(methylthio)-3-pyridyl]-2-ethyl-acrylic acid methyl ester Formula: C12H16N2O2S MolecularWeight: 252.33264

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=CC1=CN=C(C=C1N)SC)C(=O)OC

Isomeric SMILES

CC/C(=C\C1=CN=C(C=C1N)SC)/C(=O)OC

InChI

InChI=1S/C12H16N2O2S/c1-4-8(12(15)16-2)5-9-7-14-11(17-3)6-10(9)13/h5-7H,4H2,1-3H3,(H2,13,14)/b8-5+