ethyl 3-[(4-bromophenyl)methoxy]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-[(4-bromophenyl)methoxy]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-[(4-bromophenyl)methoxy]benzothiophene-2-carboxylate CAS Name: 3-[(4-bromophenyl)methoxy]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromophenyl)methoxy]-1-benzothiophene-2-carboxylate Traditional Name: 3-(4-bromobenzyl)oxybenzothiophene-2-carboxylic acid ethyl ester Formula: C18H15BrO3S MolecularWeight: 391.2789

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S1)OCC3=CC=C(C=C3)Br

InChI

InChI=1S/C18H15BrO3S/c1-2-21-18(20)17-16(14-5-3-4-6-15(14)23-17)22-11-12-7-9-13(19)10-8-12/h3-10H,2,11H2,1H3