3-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(3-bromanyl-4-fluoranyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3-bromo-4-fluoro-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3-bromo-4-fluorophenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3-bromo-4-fluorophenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3-bromo-4-fluoro-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C14H13BrFNO2S MolecularWeight: 358.225923

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C(CC(=O)O)NCC2=CC(=C(C=C2)F)Br

Isomeric SMILES

C1=CSC(=C1)C(CC(=O)O)NCC2=CC(=C(C=C2)F)Br

InChI

InChI=1S/C14H13BrFNO2S/c15-10-6-9(3-4-11(10)16)8-17-12(7-14(18)19)13-2-1-5-20-13/h1-6,12,17H,7-8H2,(H,18,19)