2-[2-(octadec-6-ynoylamino)-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[2-(octadec-6-ynoylamino)-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-(octadec-6-ynoylamino)thiazol-4-yl]acetic acid CAS Name: 2-[2-(1-oxooctadec-6-ynylamino)-4-thiazolyl]acetic acid IUPAC Name: 2-[2-(octadec-6-ynoylamino)-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-(octadec-6-ynoylamino)thiazol-4-yl]acetic acid Formula: C23H36N2O3S MolecularWeight: 420.60854

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC#CCCCCC(=O)NC1=NC(=CS1)CC(=O)O

Isomeric SMILES

CCCCCCCCCCCC#CCCCCC(=O)NC1=NC(=CS1)CC(=O)O

InChI

InChI=1S/C23H36N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(26)25-23-24-20(19-29-23)18-22(27)28/h19H,2-11,14-18H2,1H3,(H,27,28)(H,24,25,26)