3-(octylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(octylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(octylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(octylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(octylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(octylamino)-3-(2-thienyl)propionic acid Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNC(CC(=O)O)C1=CC=CS1

Isomeric SMILES

CCCCCCCCNC(CC(=O)O)C1=CC=CS1

InChI

InChI=1S/C15H25NO2S/c1-2-3-4-5-6-7-10-16-13(12-15(17)18)14-9-8-11-19-14/h8-9,11,13,16H,2-7,10,12H2,1H3,(H,17,18)