propan-2-yl 2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: propan-2-yl 2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: isopropyl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC(C)OC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C25H33NO6S/c1-14(2)32-22(28)20-17-5-3-4-6-18(17)33-21(20)26-19(27)12-31-23(29)24-8-15-7-16(9-24)11-25(30,10-15)13-24/h14-16,30H,3-13H2,1-2H3,(H,26,27)