3-ethoxycarbonylsulfanylpyridine-4-carboxylic acid

Systemtic Name: 3-ethoxycarbonylsulfanylpyridine-4-carboxylic acid Openeye Name: 3-ethoxycarbonylsulfanylpyridine-4-carboxylic acid CAS Name: 3-(ethoxycarbonylthio)-4-pyridinecarboxylic acid IUPAC Name: 3-ethoxycarbonylsulfanylpyridine-4-carboxylic acid Traditional Name: 3-(carbethoxythio)isonicotinic acid Formula: C9H9NO4S MolecularWeight: 227.23706

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)SC1=C(C=CN=C1)C(=O)O

Isomeric SMILES

CCOC(=O)SC1=C(C=CN=C1)C(=O)O

InChI

InChI=1S/C9H9NO4S/c1-2-14-9(13)15-7-5-10-4-3-6(7)8(11)12/h3-5H,2H2,1H3,(H,11,12)