methyl 4,5-dimethyl-2-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxy]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4,5-dimethyl-2-[2-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxy]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethoxy]-1-oxoethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxyacetyl]amino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[2-[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxyacetyl]amino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C21H27NO6S MolecularWeight: 421.50718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C23CC4CC(C2)CC(C4)(C3)O)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C

InChI

InChI=1S/C21H27NO6S/c1-11-12(2)29-17(16(11)18(24)27-3)22-15(23)9-28-19(25)20-5-13-4-14(6-20)8-21(26,7-13)10-20/h13-14,26H,4-10H2,1-3H3,(H,22,23)/t13-,14+,20?,21?