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

Systemtic Name: ethyl 3-(2-adamantylcarbonyloxymethyl)-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-(adamantane-2-carbonyloxymethyl)-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[[2-adamantyl(oxo)methoxy]methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(adamantane-2-carbonyloxymethyl)-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-(adamantane-2-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)C2C3CC4CC(C3)CC2C4

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2C3CC4CC(C3)CC2C4

InChI

InChI=1S/C20H24N2O4S/c1-2-25-20(24)17-15(14(8-21)18(22)27-17)9-26-19(23)16-12-4-10-3-11(6-12)7-13(16)5-10/h10-13,16H,2-7,9,22H2,1H3