2-[2-(2-chloranyl-4-fluoranyl-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene

Systemtic Name: 2-[2-(2-chloranyl-4-fluoranyl-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-1-benzothiophene Openeye Name: 2-[2-(2-chloro-4-fluoro-phenyl)-1-diethoxyphosphoryl-ethyl]-3-methyl-benzothiophene CAS Name: 2-[2-(2-chloro-4-fluorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene IUPAC Name: 2-[2-(2-chloro-4-fluorophenyl)-1-diethoxyphosphorylethyl]-3-methyl-1-benzothiophene Traditional Name: 2-[2-(2-chloro-4-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=C(C=C1)F)Cl)C2=C(C3=CC=CC=C3S2)C)OCC

Isomeric SMILES

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

InChI

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