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

Systemtic Name: ethyl 2-[2-(3-bromanylphenoxy)ethanoylamino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-bromophenoxy)-1-oxoethyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromophenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromophenoxy)acetyl]amino]-4-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C20H22BrNO4S MolecularWeight: 452.36198

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22BrNO4S/c1-3-25-20(24)18-17-12(2)6-4-9-15(17)27-19(18)22-16(23)11-26-14-8-5-7-13(21)10-14/h5,7-8,10,12H,3-4,6,9,11H2,1-2H3,(H,22,23)