[2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: [2-[2,5-bis(fluoranyl)phenyl]-2-oxidanylidene-ethyl] 3-methyl-1-benzothiophene-2-carboxylate Openeye Name: [2-(2,5-difluorophenyl)-2-oxo-ethyl] 3-methylbenzothiophene-2-carboxylate CAS Name: 3-methyl-1-benzothiophene-2-carboxylic acid [2-(2,5-difluorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-difluorophenyl)-2-oxoethyl] 3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 3-methylbenzothiophene-2-carboxylic acid [2-(2,5-difluorophenyl)-2-keto-ethyl] ester Formula: C18H12F2O3S MolecularWeight: 346.347886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

Isomeric SMILES

CC1=C(SC2=CC=CC=C12)C(=O)OCC(=O)C3=C(C=CC(=C3)F)F

InChI

InChI=1S/C18H12F2O3S/c1-10-12-4-2-3-5-16(12)24-17(10)18(22)23-9-15(21)13-8-11(19)6-7-14(13)20/h2-8H,9H2,1H3