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

Systemtic Name: ethyl 3-[2-(1-adamantyl)ethanoyloxymethyl]-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-(1-adamantyl)acetyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[2-(1-adamantyl)-1-oxoethoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-adamantyl)acetyl]oxymethyl]-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[[2-(1-adamantyl)acetyl]oxymethyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C21H26N2O4S/c1-2-26-20(25)18-16(15(10-22)19(23)28-18)11-27-17(24)9-21-6-12-3-13(7-21)5-14(4-12)8-21/h12-14H,2-9,11,23H2,1H3