3-[1-(3-bromophenyl)ethylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[1-(3-bromophenyl)ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(3-bromophenyl)ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-(3-bromophenyl)ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(3-bromophenyl)ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-(3-bromophenyl)ethylamino]-3-(2-thienyl)propionic acid Formula: C15H16BrNO2S MolecularWeight: 354.26204

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16BrNO2S/c1-10(11-4-2-5-12(16)8-11)17-13(9-15(18)19)14-6-3-7-20-14/h2-8,10,13,17H,9H2,1H3,(H,18,19)