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

Systemtic Name: [2-[2-azanyl-5-(cyclopropylmethoxycarbonyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [2-[2-amino-5-(cyclopropylmethoxycarbonyl)thiazol-4-yl]-3-furyl]phosphonic acid CAS Name: [2-[2-amino-5-[cyclopropylmethoxy(oxo)methyl]-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[2-amino-5-(cyclopropylmethoxycarbonyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[2-amino-5-(cyclopropylmethoxycarbonyl)thiazol-4-yl]-3-furyl]phosphonic acid Formula: C12H13N2O6PS MolecularWeight: 344.280181

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1COC(=O)C2=C(N=C(S2)N)C3=C(C=CO3)P(=O)(O)O

Isomeric SMILES

C1CC1COC(=O)C2=C(N=C(S2)N)C3=C(C=CO3)P(=O)(O)O

InChI

InChI=1S/C12H13N2O6PS/c13-12-14-8(9-7(3-4-19-9)21(16,17)18)10(22-12)11(15)20-5-6-1-2-6/h3-4,6H,1-2,5H2,(H2,13,14)(H2,16,17,18)