2-[(E)-4-(3-carboxypyridin-2-yl)sulfanylbut-2-enyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[(E)-4-(3-carboxypyridin-2-yl)sulfanylbut-2-enyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[(E)-4-[(3-carboxy-2-pyridyl)sulfanyl]but-2-enyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[(E)-4-[(3-carboxy-2-pyridinyl)thio]but-2-enyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[(E)-4-(3-carboxypyridin-2-yl)sulfanylbut-2-enyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[(E)-4-[(3-carboxy-2-pyridyl)thio]but-2-enyl]thio]nicotinic acid Formula: C16H14N2O4S2 MolecularWeight: 362.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)SCC=CCSC2=C(C=CC=N2)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)SC/C=C/CSC2=C(C=CC=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C16H14N2O4S2/c19-15(20)11-5-3-7-17-13(11)23-9-1-2-10-24-14-12(16(21)22)6-4-8-18-14/h1-8H,9-10H2,(H,19,20)(H,21,22)/b2-1+