ethyl 5-azanyl-3-[(4-tert-butylcyclohexyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[(4-tert-butylcyclohexyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-tert-butylcyclohexanecarbonyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-tert-butylcyclohexyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-tert-butylcyclohexanecarbonyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-tert-butylcyclohexanecarbonyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCC(CC2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2CCC(CC2)C(C)(C)C

InChI

InChI=1S/C20H28N2O4S/c1-5-25-19(24)16-15(14(10-21)17(22)27-16)11-26-18(23)12-6-8-13(9-7-12)20(2,3)4/h12-13H,5-9,11,22H2,1-4H3