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

Systemtic Name: ethyl 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]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxopropyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C25H33NO6S MolecularWeight: 475.59762

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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