2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]phenyl]carbonylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 4-methylsulfanyl-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)prop-1-enyl]benzoyl]amino]butanoic acid CAS Name: 2-[[[2-(2-methylphenyl)-4-[(E)-2-(3-pyridinyl)prop-1-enyl]phenyl]-oxomethyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[[2-(2-methylphenyl)-4-[(E)-2-pyridin-3-ylprop-1-enyl]benzoyl]amino]-4-methylsulfanylbutanoic acid Traditional Name: 4-(methylthio)-2-[[2-(o-tolyl)-4-[(E)-2-(3-pyridyl)prop-1-enyl]benzoyl]amino]butyric acid Formula: C27H28N2O3S MolecularWeight: 460.58782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H28N2O3S/c1-18-7-4-5-9-22(18)24-16-20(15-19(2)21-8-6-13-28-17-21)10-11-23(24)26(30)29-25(27(31)32)12-14-33-3/h4-11,13,15-17,25H,12,14H2,1-3H3,(H,29,30)(H,31,32)/b19-15+