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

Systemtic Name: 2-[2-[[(E)-octadec-9-enoyl]amino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[(E)-octadec-9-enoyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[(E)-1-oxooctadec-9-enyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[(E)-octadec-9-enoyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[(E)-octadec-9-enoyl]amino]thiazol-4-yl]acetic acid Formula: C23H38N2O3S MolecularWeight: 422.62442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H38N2O3S/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/h9-10,19H,2-8,11-18H2,1H3,(H,27,28)(H,24,25,26)/b10-9+