(E)-3-[2-(2-acetamido-1,3-thiazol-4-yl)cyclooctyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-(2-acetamido-1,3-thiazol-4-yl)cyclooctyl]prop-2-enoic acid Openeye Name: (E)-3-[2-(2-acetamidothiazol-4-yl)cyclooctyl]prop-2-enoic acid CAS Name: (E)-3-[2-(2-acetamido-4-thiazolyl)cyclooctyl]-2-propenoic acid IUPAC Name: (E)-3-[2-(2-acetamido-1,3-thiazol-4-yl)cyclooctyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(2-acetamidothiazol-4-yl)cyclooctyl]acrylic acid Formula: C16H22N2O3S MolecularWeight: 322.42248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NC(=CS1)C2CCCCCCC2C=CC(=O)O

Isomeric SMILES

CC(=O)NC1=NC(=CS1)C2CCCCCCC2/C=C/C(=O)O

InChI

InChI=1S/C16H22N2O3S/c1-11(19)17-16-18-14(10-22-16)13-7-5-3-2-4-6-12(13)8-9-15(20)21/h8-10,12-13H,2-7H2,1H3,(H,20,21)(H,17,18,19)/b9-8+