6-[(E)-2-[5-methylsulfanyl-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid

Systemtic Name: 6-[(E)-2-[5-methylsulfanyl-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid Openeye Name: 6-[(E)-2-[2-[(4-isopropylphenyl)methoxy]-5-methylsulfanyl-phenyl]vinyl]pyridine-3-carboxylic acid CAS Name: 6-[(E)-2-[5-(methylthio)-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethenyl]-3-pyridinecarboxylic acid IUPAC Name: 6-[(E)-2-[5-methylsulfanyl-2-[(4-propan-2-ylphenyl)methoxy]phenyl]ethenyl]pyridine-3-carboxylic acid Traditional Name: 6-[(E)-2-[2-(4-isopropylbenzyl)oxy-5-(methylthio)phenyl]vinyl]nicotinic acid Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)SC)C=CC3=NC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)COC2=C(C=C(C=C2)SC)/C=C/C3=NC=C(C=C3)C(=O)O

InChI

InChI=1S/C25H25NO3S/c1-17(2)19-6-4-18(5-7-19)16-29-24-13-12-23(30-3)14-20(24)8-10-22-11-9-21(15-26-22)25(27)28/h4-15,17H,16H2,1-3H3,(H,27,28)/b10-8+