4-(3-ethoxycarbonylpyridin-2-yl)sulfanylbenzoic acid

Systemtic Name: 4-(3-ethoxycarbonylpyridin-2-yl)sulfanylbenzoic acid Openeye Name: 4-[(3-ethoxycarbonyl-2-pyridyl)sulfanyl]benzoic acid CAS Name: 4-[(3-ethoxycarbonyl-2-pyridinyl)thio]benzoic acid IUPAC Name: 4-(3-ethoxycarbonylpyridin-2-yl)sulfanylbenzoic acid Traditional Name: 4-[(3-carbethoxy-2-pyridyl)thio]benzoic acid Formula: C15H13NO4S MolecularWeight: 303.33302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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