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

Systemtic Name: ethyl 6-methyl-2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]propanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxopropyl]amino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-6-methyl-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C26H35NO6S MolecularWeight: 489.6242

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCC(C2)C)NC(=O)C(C)OC(=O)C34CC5CC(C3)CC(C5)(C4)O

InChI

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