2-azanyl-3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid

Systemtic Name: 2-azanyl-3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid Openeye Name: 2-amino-3-[[5-(4-bromophenyl)-2-furyl]methylsulfanyl]propanoic acid CAS Name: 2-amino-3-[[5-(4-bromophenyl)-2-furanyl]methylthio]propanoic acid IUPAC Name: 2-amino-3-[[5-(4-bromophenyl)furan-2-yl]methylsulfanyl]propanoic acid Traditional Name: 2-amino-3-[[5-(4-bromophenyl)-2-furyl]methylthio]propionic acid Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(O2)CSCC(C(=O)O)N)Br

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(O2)CSCC(C(=O)O)N)Br

InChI

InChI=1S/C14H14BrNO3S/c15-10-3-1-9(2-4-10)13-6-5-11(19-13)7-20-8-12(16)14(17)18/h1-6,12H,7-8,16H2,(H,17,18)