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

Systemtic Name: 3-(pentan-2-ylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(1-methylbutylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(pentan-2-ylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(pentan-2-ylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(1-methylbutylamino)-3-(2-thienyl)propionic acid Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19NO2S/c1-3-5-9(2)13-10(8-12(14)15)11-6-4-7-16-11/h4,6-7,9-10,13H,3,5,8H2,1-2H3,(H,14,15)