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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-phenyl-phenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-phenylphenoxy)-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-phenylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-phenyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H26BrNO4S MolecularWeight: 528.45794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)COC3=C(C=C(C=C3)C4=CC=CC=C4)Br

InChI

InChI=1S/C26H26BrNO4S/c1-3-31-26(30)24-23-16(2)8-7-11-21(23)33-25(24)28-22(29)15-32-20-13-12-18(14-19(20)27)17-9-5-4-6-10-17/h4-6,9-10,12-14,16H,3,7-8,11,15H2,1-2H3,(H,28,29)