2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonyloxy-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]phenyl]carbonyloxy-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]oxy-butanoic acid CAS Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)ethenyl]phenyl]-oxomethoxy]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylethenyl]benzoyl]oxy-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)vinyl]benzoyl]oxy-butyric acid Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CN=CC=C3)C(=O)OC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CN=CC=C3)C(=O)OC(CCSC)C(=O)O

InChI

InChI=1S/C26H25NO4S/c1-18-6-3-4-8-21(18)23-16-19(9-10-20-7-5-14-27-17-20)11-12-22(23)26(30)31-24(25(28)29)13-15-32-2/h3-12,14,16-17,24H,13,15H2,1-2H3,(H,28,29)/b10-9+