2-[[2-(2-methylphenyl)-4-[(E)-4-phenylbut-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-4-phenylbut-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-4-phenylbut-1-enyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-4-phenylbut-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-4-phenylbut-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-4-phenylbut-1-enyl]benzoyl]amino]butyric acid Formula: C29H31NO3S MolecularWeight: 473.62634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CCCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/CCC3=CC=CC=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C29H31NO3S/c1-21-10-6-9-15-24(21)26-20-23(14-8-7-13-22-11-4-3-5-12-22)16-17-25(26)28(31)30-27(29(32)33)18-19-34-2/h3-6,8-12,14-17,20,27H,7,13,18-19H2,1-2H3,(H,30,31)(H,32,33)/b14-8+