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

Systemtic Name: [5-[2-cyano-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [5-(2-cyano-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid CAS Name: [5-[2-cyano-5-(2-methylpropyl)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [5-[2-cyano-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [5-(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=CC(=CO2)P(=O)(O)O

Isomeric SMILES

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

InChI

InChI=1S/C12H13N2O4PS/c1-7(2)3-10-12(14-11(5-13)20-10)9-4-8(6-18-9)19(15,16)17/h4,6-7H,3H2,1-2H3,(H2,15,16,17)