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

Systemtic Name: 2-[2-[[(E)-hexadec-9-enoyl]amino]-1,3-thiazol-4-yl]ethanoic acid Openeye Name: 2-[2-[[(E)-hexadec-9-enoyl]amino]thiazol-4-yl]acetic acid CAS Name: 2-[2-[[(E)-1-oxohexadec-9-enyl]amino]-4-thiazolyl]acetic acid IUPAC Name: 2-[2-[[(E)-hexadec-9-enoyl]amino]-1,3-thiazol-4-yl]acetic acid Traditional Name: 2-[2-[[(E)-hexadec-9-enoyl]amino]thiazol-4-yl]acetic acid Formula: C21H34N2O3S MolecularWeight: 394.57126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H34N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(24)23-21-22-18(17-27-21)16-20(25)26/h7-8,17H,2-6,9-16H2,1H3,(H,25,26)(H,22,23,24)/b8-7+