2-[2-(octanoylamino)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(octanoylamino)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(octanoylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-(1-oxooctylamino)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(octanoylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(caprylylamino)thiazol-4-yl]acetic acid Formula: C13H20N2O3S MolecularWeight: 284.3745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC1=NC(=CS1)CC(=O)O

Isomeric SMILES

CCCCCCCC(=O)NC1=NC(=CS1)CC(=O)O

InChI

InChI=1S/C13H20N2O3S/c1-2-3-4-5-6-7-11(16)15-13-14-10(9-19-13)8-12(17)18/h9H,2-8H2,1H3,(H,17,18)(H,14,15,16)