2-[4-ethyl-2-[[(E)-octadec-9-enoyl]amino]-5H-1,3-thiazol-4-yl]ethanoic acid

Systemtic Name: 2-[4-ethyl-2-[[(E)-octadec-9-enoyl]amino]-5H-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[4-ethyl-2-[[(E)-octadec-9-enoyl]amino]-5H-thiazol-4-yl]acetic acid CAS Name: 2-[4-ethyl-2-[[(E)-1-oxooctadec-9-enyl]amino]-5H-thiazol-4-yl]acetic acid IUPAC Name: 2-[4-ethyl-2-[[(E)-octadec-9-enoyl]amino]-5H-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[4-ethyl-2-[[(E)-octadec-9-enoyl]amino]-2-thiazolin-4-yl]acetic acid Formula: C25H44N2O3S MolecularWeight: 452.69346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H44N2O3S/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(28)26-24-27-25(4-2,21-31-24)20-23(29)30/h11-12H,3-10,13-21H2,1-2H3,(H,29,30)(H,26,27,28)/b12-11+