2-[4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]propanoic acid

Systemtic Name: 2-[4-[(2-phenylsulfanylpyridin-3-yl)carbonylamino]phenyl]propanoic acid Openeye Name: 2-[4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]phenyl]propanoic acid CAS Name: 2-[4-[[oxo-[2-(phenylthio)-3-pyridinyl]methyl]amino]phenyl]propanoic acid IUPAC Name: 2-[4-[(2-phenylsulfanylpyridine-3-carbonyl)amino]phenyl]propanoic acid Traditional Name: 2-[4-[[2-(phenylthio)nicotinoyl]amino]phenyl]propionic acid Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=C(N=CC=C2)SC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C21H18N2O3S/c1-14(21(25)26)15-9-11-16(12-10-15)23-19(24)18-8-5-13-22-20(18)27-17-6-3-2-4-7-17/h2-14H,1H3,(H,23,24)(H,25,26)