2-[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-styryl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-phenylethenyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-styryl]benzoyl]amino]butyric acid Formula: C27H27NO3S MolecularWeight: 445.57318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H27NO3S/c1-19-8-6-7-11-22(19)24-18-21(13-12-20-9-4-3-5-10-20)14-15-23(24)26(29)28-25(27(30)31)16-17-32-2/h3-15,18,25H,16-17H2,1-2H3,(H,28,29)(H,30,31)/b13-12+