ethyl 2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]propanoylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]propanoylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxopropyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[2-(3-hydroxyadamantane-1-carbonyl)oxypropanoylamino]-5-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H31NO6S MolecularWeight: 497.60314

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H31NO6S/c1-3-33-24(30)20-10-21(19-7-5-4-6-8-19)35-23(20)28-22(29)16(2)34-25(31)26-11-17-9-18(12-26)14-27(32,13-17)15-26/h4-8,10,16-18,32H,3,9,11-15H2,1-2H3,(H,28,29)