2-[2-[3,4-bis(fluoranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-3-cyclopropyl-1-benzothiophene

Systemtic Name: 2-[2-[3,4-bis(fluoranyl)phenyl]-1-diethoxyphosphoryl-ethyl]-3-cyclopropyl-1-benzothiophene Openeye Name: 3-cyclopropyl-2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]benzothiophene CAS Name: 3-cyclopropyl-2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-1-benzothiophene IUPAC Name: 3-cyclopropyl-2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]-1-benzothiophene Traditional Name: 3-cyclopropyl-2-[1-diethoxyphosphoryl-2-(3,4-difluorophenyl)ethyl]benzothiophene Formula: C23H25F2O3PS MolecularWeight: 450.478367

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C(CC1=CC(=C(C=C1)F)F)C2=C(C3=CC=CC=C3S2)C4CC4)OCC

Isomeric SMILES

CCOP(=O)(C(CC1=CC(=C(C=C1)F)F)C2=C(C3=CC=CC=C3S2)C4CC4)OCC

InChI

InChI=1S/C23H25F2O3PS/c1-3-27-29(26,28-4-2)20(14-15-9-12-18(24)19(25)13-15)23-22(16-10-11-16)17-7-5-6-8-21(17)30-23/h5-9,12-13,16,20H,3-4,10-11,14H2,1-2H3