2-[[2-(2-methylphenyl)-4-[(E)-2-quinolin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfinyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-quinolin-3-ylethenyl]phenyl]carbonylamino]-4-methylsulfinyl-butanoic acid Openeye Name: 4-methylsulfinyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-quinolyl)vinyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-quinolinyl)ethenyl]phenyl]-oxomethyl]amino]-4-methylsulfinylbutanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-quinolin-3-ylethenyl]benzoyl]amino]-4-methylsulfinylbutanoic acid Traditional Name: 4-methylsulfinyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-quinolyl)vinyl]benzoyl]amino]butyric acid Formula: C30H28N2O4S MolecularWeight: 512.61932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=C(C=CC(=C2)C=CC3=CC4=CC=CC=C4N=C3)C(=O)NC(CCS(=O)C)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C2=C(C=CC(=C2)/C=C/C3=CC4=CC=CC=C4N=C3)C(=O)NC(CCS(=O)C)C(=O)O

InChI

InChI=1S/C30H28N2O4S/c1-20-7-3-5-9-24(20)26-18-21(11-12-22-17-23-8-4-6-10-27(23)31-19-22)13-14-25(26)29(33)32-28(30(34)35)15-16-37(2)36/h3-14,17-19,28H,15-16H2,1-2H3,(H,32,33)(H,34,35)/b12-11+