[5-[2-acetamido-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid

Systemtic Name: [5-[2-acetamido-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [5-(2-acetamido-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid CAS Name: [5-[2-acetamido-5-(2-methylpropyl)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [5-[2-acetamido-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [5-(2-acetamido-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid Formula: C13H17N2O5PS MolecularWeight: 344.323241

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=C(N=C(S1)NC(=O)C)C2=CC(=CO2)P(=O)(O)O

Isomeric SMILES

CC(C)CC1=C(N=C(S1)NC(=O)C)C2=CC(=CO2)P(=O)(O)O

InChI

InChI=1S/C13H17N2O5PS/c1-7(2)4-11-12(15-13(22-11)14-8(3)16)10-5-9(6-20-10)21(17,18)19/h5-7H,4H2,1-3H3,(H,14,15,16)(H2,17,18,19)