2-[(3-bromanylthiophen-2-yl)methylamino]-3-phenyl-propanoic acid

Systemtic Name: 2-[(3-bromanylthiophen-2-yl)methylamino]-3-phenyl-propanoic acid Openeye Name: 2-[(3-bromo-2-thienyl)methylamino]-3-phenyl-propanoic acid CAS Name: 2-[(3-bromo-2-thiophenyl)methylamino]-3-phenylpropanoic acid IUPAC Name: 2-[(3-bromothiophen-2-yl)methylamino]-3-phenylpropanoic acid Traditional Name: 2-[(3-bromo-2-thienyl)methylamino]-3-phenyl-propionic acid Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CS2)Br

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)O)NCC2=C(C=CS2)Br

InChI

InChI=1S/C14H14BrNO2S/c15-11-6-7-19-13(11)9-16-12(14(17)18)8-10-4-2-1-3-5-10/h1-7,12,16H,8-9H2,(H,17,18)