3-[(3-bromophenyl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(3-bromophenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3-bromophenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3-bromophenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3-bromophenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3-bromobenzyl)amino]-3-(2-thienyl)propionic acid Formula: C14H14BrNO2S MolecularWeight: 340.23546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

C1=CC(=CC(=C1)Br)CNC(CC(=O)O)C2=CC=CS2

InChI

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