ethyl 2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[(3-oxidanyl-1-adamantyl)carbonyloxy]ethanoylamino]-5-propan-2-yl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-5-isopropyl-thiophene-3-carboxylate CAS Name: 2-[[2-[(3-hydroxy-1-adamantyl)-oxomethoxy]-1-oxoethyl]amino]-5-propan-2-yl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-5-propan-2-ylthiophene-3-carboxylate Traditional Name: 2-[[2-(3-hydroxyadamantane-1-carbonyl)oxyacetyl]amino]-5-isopropyl-thiophene-3-carboxylic acid ethyl ester Formula: C23H31NO6S MolecularWeight: 449.56034

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31NO6S/c1-4-29-20(26)16-6-17(13(2)3)31-19(16)24-18(25)11-30-21(27)22-7-14-5-15(8-22)10-23(28,9-14)12-22/h6,13-15,28H,4-5,7-12H2,1-3H3,(H,24,25)