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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24BrNO4S/c1-4-26-21(25)19-18-12(2)6-5-7-16(18)28-20(19)23-17(24)11-27-14-8-9-15(22)13(3)10-14/h8-10,12H,4-7,11H2,1-3H3,(H,23,24)