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

Systemtic Name: ethyl 2-[[(5S,7R)-3-bromanyl-1-adamantyl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[[(5S,7R)-3-bromo-1-adamantyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[(5S,7R)-3-bromoadamantane-1-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C22H28BrNO3S MolecularWeight: 466.43162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H28BrNO3S/c1-2-27-19(25)17-15-5-3-4-6-16(15)28-18(17)24-20(26)21-8-13-7-14(9-21)11-22(23,10-13)12-21/h13-14H,2-12H2,1H3,(H,24,26)/t13-,14+,21?,22?