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

Systemtic Name: propan-2-yl 6-methyl-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]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-6-methyl-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]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid isopropyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1CCC2=C(C1)SC(=C2C(=O)OC(C)C)NC(=O)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C26H35NO6S/c1-14(2)33-23(29)21-18-5-4-15(3)6-19(18)34-22(21)27-20(28)12-32-24(30)25-8-16-7-17(9-25)11-26(31,10-16)13-25/h14-17,31H,4-13H2,1-3H3,(H,27,28)