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

Systemtic Name: [2-[2-ethyl-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [2-(2-ethyl-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid CAS Name: [2-[2-ethyl-5-(2-methylpropyl)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[2-ethyl-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [2-(2-ethyl-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid Formula: C13H18NO4PS MolecularWeight: 315.325081

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(S1)CC(C)C)C2=C(C=CO2)P(=O)(O)O

Isomeric SMILES

CCC1=NC(=C(S1)CC(C)C)C2=C(C=CO2)P(=O)(O)O

InChI

InChI=1S/C13H18NO4PS/c1-4-11-14-12(10(20-11)7-8(2)3)13-9(5-6-18-13)19(15,16)17/h5-6,8H,4,7H2,1-3H3,(H2,15,16,17)