ethyl 2-benzamido-4,6-bis(bromanyl)-7-oxidanyl-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-benzamido-4,6-bis(bromanyl)-7-oxidanyl-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-benzamido-4,6-dibromo-7-hydroxy-benzothiophene-3-carboxylate CAS Name: 2-benzamido-4,6-dibromo-7-hydroxy-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-benzamido-4,6-dibromo-7-hydroxy-1-benzothiophene-3-carboxylate Traditional Name: 2-benzamido-4,6-dibromo-7-hydroxy-benzothiophene-3-carboxylic acid ethyl ester Formula: C18H13Br2NO4S MolecularWeight: 499.17312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)Br)Br)NC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(=CC(=C2O)Br)Br)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C18H13Br2NO4S/c1-2-25-18(24)13-12-10(19)8-11(20)14(22)15(12)26-17(13)21-16(23)9-6-4-3-5-7-9/h3-8,22H,2H2,1H3,(H,21,23)