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

Systemtic Name: [2-[2-cyano-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [2-(2-cyano-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid CAS Name: [2-[2-cyano-5-(2-methylpropyl)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[2-cyano-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [2-(2-cyano-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid Formula: C12H13N2O4PS MolecularWeight: 312.281381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O4PS/c1-7(2)5-9-11(14-10(6-13)20-9)12-8(3-4-18-12)19(15,16)17/h3-4,7H,5H2,1-2H3,(H2,15,16,17)