ethyl 4,5-dimethyl-2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4,5-dimethyl-2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H29NO6S MolecularWeight: 435.53376

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

InChI

InChI=1S/C22H29NO6S/c1-4-28-19(25)17-12(2)13(3)30-18(17)23-16(24)10-29-20(26)21-6-14-5-15(7-21)9-22(27,8-14)11-21/h14-15,27H,4-11H2,1-3H3,(H,23,24)