3-[2-carboxyethylsulfanyl-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]methyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]methyl]sulfanylpropanoic acid Openeye Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]methyl]sulfanylpropanoic acid CAS Name: 3-[[(2-carboxyethylthio)-[3-[(E)-2-(2-quinolinyl)ethenyl]phenyl]methyl]thio]propanoic acid IUPAC Name: 3-[2-carboxyethylsulfanyl-[3-[(E)-2-quinolin-2-ylethenyl]phenyl]methyl]sulfanylpropanoic acid Traditional Name: 3-[[(2-carboxyethylthio)-[3-[(E)-2-(2-quinolyl)vinyl]phenyl]methyl]thio]propionic acid Formula: C24H23NO4S2 MolecularWeight: 453.57372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC(=N2)C=CC3=CC(=CC=C3)C(SCCC(=O)O)SCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C3=CC(=CC=C3)C(SCCC(=O)O)SCCC(=O)O

InChI

InChI=1S/C24H23NO4S2/c26-22(27)12-14-30-24(31-15-13-23(28)29)19-6-3-4-17(16-19)8-10-20-11-9-18-5-1-2-7-21(18)25-20/h1-11,16,24H,12-15H2,(H,26,27)(H,28,29)/b10-8+