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

Systemtic Name: [2-[5-(2-methylpropyl)-2-methylsulfanyl-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Openeye Name: [2-(5-isobutyl-2-methylsulfanyl-thiazol-4-yl)-3-furyl]phosphonic acid CAS Name: [2-[5-(2-methylpropyl)-2-(methylthio)-4-thiazolyl]-3-furanyl]phosphonic acid IUPAC Name: [2-[5-(2-methylpropyl)-2-methylsulfanyl-1,3-thiazol-4-yl]furan-3-yl]phosphonic acid Traditional Name: [2-[5-isobutyl-2-(methylthio)thiazol-4-yl]-3-furyl]phosphonic acid Formula: C12H16NO4PS2 MolecularWeight: 333.363501

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16NO4PS2/c1-7(2)6-9-10(13-12(19-3)20-9)11-8(4-5-17-11)18(14,15)16/h4-5,7H,6H2,1-3H3,(H2,14,15,16)