phenacyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate

Systemtic Name: phenacyl 4-fluoranyl-3-methyl-1-benzothiophene-2-carboxylate Openeye Name: phenacyl 4-fluoro-3-methyl-benzothiophene-2-carboxylate CAS Name: 4-fluoro-3-methyl-1-benzothiophene-2-carboxylic acid phenacyl ester IUPAC Name: phenacyl 4-fluoro-3-methyl-1-benzothiophene-2-carboxylate Traditional Name: 4-fluoro-3-methyl-benzothiophene-2-carboxylic acid phenacyl ester Formula: C18H13FO3S MolecularWeight: 328.357423

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13FO3S/c1-11-16-13(19)8-5-9-15(16)23-17(11)18(21)22-10-14(20)12-6-3-2-4-7-12/h2-9H,10H2,1H3