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

Systemtic Name: ethyl 2-[2-(2-bromanyl-4-methyl-phenoxy)ethanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(2-bromo-4-methylphenoxy)-1-oxoethyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(2-bromo-4-methylphenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C21H24BrNO4S MolecularWeight: 466.38856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=C(C=C(C=C3)C)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)COC3=C(C=C(C=C3)C)Br

InChI

InChI=1S/C21H24BrNO4S/c1-4-26-21(25)19-14-7-5-13(3)10-17(14)28-20(19)23-18(24)11-27-16-8-6-12(2)9-15(16)22/h6,8-9,13H,4-5,7,10-11H2,1-3H3,(H,23,24)