3-(5-ethoxycarbonylpyridin-2-yl)sulfanylpropanoic acid

Systemtic Name: 3-(5-ethoxycarbonylpyridin-2-yl)sulfanylpropanoic acid Openeye Name: 3-[(5-ethoxycarbonyl-2-pyridyl)sulfanyl]propanoic acid CAS Name: 3-[(5-ethoxycarbonyl-2-pyridinyl)thio]propanoic acid IUPAC Name: 3-(5-ethoxycarbonylpyridin-2-yl)sulfanylpropanoic acid Traditional Name: 3-[(5-carbethoxy-2-pyridyl)thio]propionic acid Formula: C11H13NO4S MolecularWeight: 255.29022

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SCCC(=O)O

InChI

InChI=1S/C11H13NO4S/c1-2-16-11(15)8-3-4-9(12-7-8)17-6-5-10(13)14/h3-4,7H,2,5-6H2,1H3,(H,13,14)