4-(5-ethoxycarbonylpyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(5-ethoxycarbonylpyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(5-ethoxycarbonyl-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(5-ethoxycarbonyl-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(5-ethoxycarbonylpyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(5-carbethoxy-2-pyridyl)thio]benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(C=C1)SC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCOC(=O)C1=CN=C(C=C1)SC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H13NO4S/c1-2-20-15(19)11-5-8-13(16-9-11)21-12-6-3-10(4-7-12)14(17)18/h3-9H,2H2,1H3,(H,17,18)