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

Systemtic Name: ethyl 2-[2-(4-bromanyl-2,6-dimethyl-phenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(4-bromo-2,6-dimethylphenoxy)-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(4-bromo-2,6-dimethylphenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-bromo-2,6-dimethyl-phenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H26BrNO4S MolecularWeight: 480.41514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)COC3=C(C=C(C=C3C)Br)C

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1C(CCC2)C)NC(=O)COC3=C(C=C(C=C3C)Br)C

InChI

InChI=1S/C22H26BrNO4S/c1-5-27-22(26)19-18-12(2)7-6-8-16(18)29-21(19)24-17(25)11-28-20-13(3)9-15(23)10-14(20)4/h9-10,12H,5-8,11H2,1-4H3,(H,24,25)