2-azanyl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Openeye Name: 2-amino-3-[3-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]phenyl]propanoic acid CAS Name: 2-amino-3-[3-[[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]methyl]phenyl]propanoic acid IUPAC Name: 2-amino-3-[3-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]propanoic acid Traditional Name: 2-amino-3-[3-[[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]methyl]phenyl]propionic acid Formula: C17H16N4O3S MolecularWeight: 356.39894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=NC=C3)CC(C(=O)O)N

Isomeric SMILES

C1=CC(=CC(=C1)CSC2=NN=C(O2)C3=CC=NC=C3)CC(C(=O)O)N

InChI

InChI=1S/C17H16N4O3S/c18-14(16(22)23)9-11-2-1-3-12(8-11)10-25-17-21-20-15(24-17)13-4-6-19-7-5-13/h1-8,14H,9-10,18H2,(H,22,23)