methyl (E)-6-(3-oxidanylpyridin-2-yl)sulfanylhex-2-enoate

Systemtic Name: methyl (E)-6-(3-oxidanylpyridin-2-yl)sulfanylhex-2-enoate Openeye Name: methyl (E)-6-[(3-hydroxy-2-pyridyl)sulfanyl]hex-2-enoate CAS Name: (E)-6-[(3-hydroxy-2-pyridinyl)thio]-2-hexenoic acid methyl ester IUPAC Name: methyl (E)-6-(3-hydroxypyridin-2-yl)sulfanylhex-2-enoate Traditional Name: (E)-6-[(3-hydroxy-2-pyridyl)thio]hex-2-enoic acid methyl ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CCCCSC1=C(C=CC=N1)O

Isomeric SMILES

COC(=O)/C=C/CCCSC1=C(C=CC=N1)O

InChI

InChI=1S/C12H15NO3S/c1-16-11(15)7-3-2-4-9-17-12-10(14)6-5-8-13-12/h3,5-8,14H,2,4,9H2,1H3/b7-3+