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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CC=C1)SCCC(=O)O

Isomeric SMILES

CCOC(=O)C1=C(N=CC=C1)SCCC(=O)O

InChI

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