ethyl 3-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-[2-(1-adamantylcarbonylamino)ethanoyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[2-[[1-adamantyl(oxo)methyl]amino]-1-oxoethoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[2-(adamantane-1-carbonylamino)acetyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O5S/c1-2-29-20(27)18-16(15(9-23)19(24)31-18)11-30-17(26)10-25-21(28)22-6-12-3-13(7-22)5-14(4-12)8-22/h12-14H,2-8,10-11,24H2,1H3,(H,25,28)