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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H28N2O4S/c1-21-7-3-5-9-26(21)23-11-13-24(14-12-23)28(33)30(29(34)35,16-18-37(2)36)32-17-15-22-19-25-8-4-6-10-27(25)31-20-22/h3-15,17,19-20,32H,16,18H2,1-2H3,(H,34,35)/b17-15+