ethyl 3-(1-adamantylcarbonyloxymethyl)-5-azanyl-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 3-(1-adamantylcarbonyloxymethyl)-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-(adamantane-1-carbonyloxymethyl)-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[1-adamantyl(oxo)methoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(adamantane-1-carbonyloxymethyl)-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-(adamantane-1-carbonyloxymethyl)-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H24N2O4S MolecularWeight: 388.48056

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H24N2O4S/c1-2-25-18(23)16-15(14(9-21)17(22)27-16)10-26-19(24)20-6-11-3-12(7-20)5-13(4-11)8-20/h11-13H,2-8,10,22H2,1H3