3-(octan-2-ylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(octan-2-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(1-methylheptylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(octan-2-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(octan-2-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(1-methylheptylamino)-3-(2-thienyl)propionic acid Formula: C15H25NO2S MolecularWeight: 283.4295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)NC(CC(=O)O)C1=CC=CS1

Isomeric SMILES

CCCCCCC(C)NC(CC(=O)O)C1=CC=CS1

InChI

InChI=1S/C15H25NO2S/c1-3-4-5-6-8-12(2)16-13(11-15(17)18)14-9-7-10-19-14/h7,9-10,12-13,16H,3-6,8,11H2,1-2H3,(H,17,18)