methyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: methyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: methyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid methyl ester Formula: C24H22BrNO4S MolecularWeight: 500.40478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

COC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C24H22BrNO4S/c1-29-24(28)22-17-9-5-6-10-20(17)31-23(22)26-21(27)14-30-19-12-11-16(13-18(19)25)15-7-3-2-4-8-15/h2-4,7-8,11-13H,5-6,9-10,14H2,1H3,(H,26,27)