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

Systemtic Name: [5-[2-azanylsulfanylcarbonyl-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [5-(2-aminosulfanylcarbonyl-5-isobutyl-thiazol-4-yl)-3-furyl]phosphonic acid CAS Name: [5-[2-[(aminothio)-oxomethyl]-5-(2-methylpropyl)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [5-[2-aminosulfanylcarbonyl-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [5-[2-(aminothio)carbonyl-5-isobutyl-thiazol-4-yl]-3-furyl]phosphonic acid Formula: C12H15N2O5PS2 MolecularWeight: 362.361661

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N2O5PS2/c1-6(2)3-9-10(14-11(21-9)12(15)22-13)8-4-7(5-19-8)20(16,17)18/h4-6H,3,13H2,1-2H3,(H2,16,17,18)