3-[(E)-docos-13-enoyl]-2-pyridin-4-yl-2H-1,3-thiazole-4-carboxylic acid

Systemtic Name: 3-[(E)-docos-13-enoyl]-2-pyridin-4-yl-2H-1,3-thiazole-4-carboxylic acid Openeye Name: 3-[(E)-docos-13-enoyl]-2-(4-pyridyl)-2H-thiazole-4-carboxylic acid CAS Name: 3-[(E)-1-oxodocos-13-enyl]-2-pyridin-4-yl-2H-thiazole-4-carboxylic acid IUPAC Name: 3-[(E)-docos-13-enoyl]-2-pyridin-4-yl-2H-1,3-thiazole-4-carboxylic acid Traditional Name: 3-[(E)-docos-13-enoyl]-2-(4-pyridyl)-4-thiazoline-4-carboxylic acid Formula: C31H48N2O3S MolecularWeight: 528.78942

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCCCCC(=O)N1C(SC=C1C(=O)O)C2=CC=NC=C2

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCCCCC(=O)N1C(SC=C1C(=O)O)C2=CC=NC=C2

InChI

InChI=1S/C31H48N2O3S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29(34)33-28(31(35)36)26-37-30(33)27-22-24-32-25-23-27/h9-10,22-26,30H,2-8,11-21H2,1H3,(H,35,36)/b10-9+