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

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-naphthalen-2-ylethenyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[4-[(E)-2-(2-naphthyl)vinyl]-2-(o-tolyl)benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-(2-naphthalenyl)ethenyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-naphthalen-2-ylethenyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[4-[(E)-2-(2-naphthyl)vinyl]-2-(o-tolyl)benzoyl]amino]butyric acid Formula: C31H29NO3S MolecularWeight: 495.63186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CC4=CC=CC=C4C=C3)C(=O)NC(CCSC)C(=O)O

InChI

InChI=1S/C31H29NO3S/c1-21-7-3-6-10-26(21)28-20-23(12-11-22-13-15-24-8-4-5-9-25(24)19-22)14-16-27(28)30(33)32-29(31(34)35)17-18-36-2/h3-16,19-20,29H,17-18H2,1-2H3,(H,32,33)(H,34,35)/b12-11+