ethyl 5-azanyl-4-cyano-3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(5S,7R)-3-oxidanyl-1-adamantyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[(5S,7R)-3-hydroxy-1-adamantyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(5S,7R)-3-hydroxyadamantane-1-carbonyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C20H24N2O5S/c1-2-26-17(23)15-14(13(8-21)16(22)28-15)9-27-18(24)19-4-11-3-12(5-19)7-20(25,6-11)10-19/h11-12,25H,2-7,9-10,22H2,1H3/t11-,12+,19?,20?