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

Systemtic Name: ethyl 2-[2-(3-bromanyl-1-adamantyl)ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-(3-bromo-1-adamantyl)-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-bromo-1-adamantyl)acetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C23H30BrNO3S MolecularWeight: 480.4582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H30BrNO3S/c1-2-28-21(27)19-16-5-3-4-6-17(16)29-20(19)25-18(26)12-22-8-14-7-15(9-22)11-23(24,10-14)13-22/h14-15H,2-13H2,1H3,(H,25,26)