ethyl 2-acetamido-6-bromanyl-7-phenylmethoxy-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-acetamido-6-bromanyl-7-phenylmethoxy-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-acetamido-7-benzyloxy-6-bromo-benzothiophene-3-carboxylate CAS Name: 2-acetamido-6-bromo-7-phenylmethoxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-acetamido-6-bromo-7-phenylmethoxy-1-benzothiophene-3-carboxylate Traditional Name: 2-acetamido-7-benzoxy-6-bromo-benzothiophene-3-carboxylic acid ethyl ester Formula: C20H18BrNO4S MolecularWeight: 448.33022

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC3=CC=CC=C3)Br)NC(=O)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C=CC(=C2OCC3=CC=CC=C3)Br)NC(=O)C

InChI

InChI=1S/C20H18BrNO4S/c1-3-25-20(24)16-14-9-10-15(21)17(18(14)27-19(16)22-12(2)23)26-11-13-7-5-4-6-8-13/h4-10H,3,11H2,1-2H3,(H,22,23)