[5-[4-azanyl-7-ethyl-5-fluoranyl-1-(2-methylpropyl)-6-methylsulfanyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid

Systemtic Name: [5-[4-azanyl-7-ethyl-5-fluoranyl-1-(2-methylpropyl)-6-methylsulfanyl-benzimidazol-2-yl]furan-2-yl]phosphonic acid Openeye Name: [5-(4-amino-7-ethyl-5-fluoro-1-isobutyl-6-methylsulfanyl-benzimidazol-2-yl)-2-furyl]phosphonic acid CAS Name: [5-[4-amino-7-ethyl-5-fluoro-1-(2-methylpropyl)-6-(methylthio)-2-benzimidazolyl]-2-furanyl]phosphonic acid IUPAC Name: [5-[4-amino-7-ethyl-5-fluoro-1-(2-methylpropyl)-6-methylsulfanylbenzimidazol-2-yl]furan-2-yl]phosphonic acid Traditional Name: [5-[4-amino-7-ethyl-5-fluoro-1-isobutyl-6-(methylthio)benzimidazol-2-yl]-2-furyl]phosphonic acid Formula: C18H23FN3O4PS MolecularWeight: 427.430084

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=C(C(=C1SC)F)N)N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O

Isomeric SMILES

CCC1=C2C(=C(C(=C1SC)F)N)N=C(N2CC(C)C)C3=CC=C(O3)P(=O)(O)O

InChI

InChI=1S/C18H23FN3O4PS/c1-5-10-16-15(14(20)13(19)17(10)28-4)21-18(22(16)8-9(2)3)11-6-7-12(26-11)27(23,24)25/h6-7,9H,5,8,20H2,1-4H3,(H2,23,24,25)