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

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

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)OCC(=O)NC2=C(C3=C(S2)CCCC3)C(=O)OCC

InChI

InChI=1S/C21H24BrNO4S/c1-3-13-11-14(22)9-10-16(13)27-12-18(24)23-20-19(21(25)26-4-2)15-7-5-6-8-17(15)28-20/h9-11H,3-8,12H2,1-2H3,(H,23,24)