6-[(E)-2-(2-acetyloxy-5-methylsulfanyl-phenyl)ethenyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(E)-2-(2-acetyloxy-5-methylsulfanyl-phenyl)ethenyl]pyridine-3-carboxylic acid Openeye Name: 6-[(E)-2-(2-acetoxy-5-methylsulfanyl-phenyl)vinyl]pyridine-3-carboxylic acid CAS Name: 6-[(E)-2-[2-acetyloxy-5-(methylthio)phenyl]ethenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(E)-2-(2-acetyloxy-5-methylsulfanylphenyl)ethenyl]pyridine-3-carboxylic acid Traditional Name: 6-[(E)-2-[2-acetoxy-5-(methylthio)phenyl]vinyl]nicotinic acid Formula: C17H15NO4S MolecularWeight: 329.3703

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)SC)C=CC2=NC=C(C=C2)C(=O)O

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)SC)/C=C/C2=NC=C(C=C2)C(=O)O

InChI

InChI=1S/C17H15NO4S/c1-11(19)22-16-8-7-15(23-2)9-12(16)3-5-14-6-4-13(10-18-14)17(20)21/h3-10H,1-2H3,(H,20,21)/b5-3+