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

Systemtic Name: ethyl 3-(1-adamantylsulfanylmethyl)-5-azanyl-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 3-(1-adamantylsulfanylmethyl)-5-amino-4-cyano-thiophene-2-carboxylate CAS Name: 3-[(1-adamantylthio)methyl]-5-amino-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(1-adamantylsulfanylmethyl)-5-amino-4-cyanothiophene-2-carboxylate Traditional Name: 3-[(1-adamantylthio)methyl]-5-amino-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C19H24N2O2S2 MolecularWeight: 376.53606

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C19H24N2O2S2/c1-2-23-18(22)16-15(14(9-20)17(21)25-16)10-24-19-6-11-3-12(7-19)5-13(4-11)8-19/h11-13H,2-8,10,21H2,1H3