[3,4-bis(fluoranyl)phenyl]methyl 3-azanyl-1-benzothiophene-2-carboxylate

Systemtic Name: [3,4-bis(fluoranyl)phenyl]methyl 3-azanyl-1-benzothiophene-2-carboxylate Openeye Name: (3,4-difluorophenyl)methyl 3-aminobenzothiophene-2-carboxylate CAS Name: 3-amino-1-benzothiophene-2-carboxylic acid (3,4-difluorophenyl)methyl ester IUPAC Name: (3,4-difluorophenyl)methyl 3-amino-1-benzothiophene-2-carboxylate Traditional Name: 3-aminobenzothiophene-2-carboxylic acid (3,4-difluorobenzyl) ester Formula: C16H11F2NO2S MolecularWeight: 319.325846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC(=C(C=C3)F)F)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(S2)C(=O)OCC3=CC(=C(C=C3)F)F)N

InChI

InChI=1S/C16H11F2NO2S/c17-11-6-5-9(7-12(11)18)8-21-16(20)15-14(19)10-3-1-2-4-13(10)22-15/h1-7H,8,19H2