2-azanyl-3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[2-(4-chlorophenyl)oxazol-4-yl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[2-(4-chlorophenyl)-4-oxazolyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[2-(4-chlorophenyl)oxazol-4-yl]methylthio]propionic acid Formula: C13H13ClN2O3S MolecularWeight: 312.77192

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NC(=CO2)CSCC(C(=O)O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2=NC(=CO2)CSCC(C(=O)O)N)Cl

InChI

InChI=1S/C13H13ClN2O3S/c14-9-3-1-8(2-4-9)12-16-10(5-19-12)6-20-7-11(15)13(17)18/h1-5,11H,6-7,15H2,(H,17,18)