2-[2-(3-chloranyl-2-fluoranyl-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[2-(3-chloranyl-2-fluoranyl-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[2-(3-chloro-2-fluoro-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene CAS Name: 2-[2-(3-chloro-2-fluorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[2-(3-chloro-2-fluorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[2-(3-chloro-2-fluoro-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene Formula: C21H23ClFO3PS MolecularWeight: 440.895684

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=C(C(=CC=C1)Cl)F)C2=C(C3=CC=CC=C3S2)C)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=C(C(=CC=C1)Cl)F)C2=C(C3=CC=CC=C3S2)C)OCC

InChI

InChI=1S/C21H23ClFO3PS/c1-4-25-27(24,26-5-2)18(13-15-9-8-11-17(22)20(15)23)21-14(3)16-10-6-7-12-19(16)28-21/h6-12,18H,4-5,13H2,1-3H3