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

Systemtic Name: ethyl 5-azanyl-3-[(4-tert-butyl-3-nitro-phenyl)carbonyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[(4-tert-butyl-3-nitro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(4-tert-butyl-3-nitrophenyl)-oxomethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[(4-tert-butyl-3-nitrobenzoyl)oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[(4-tert-butyl-3-nitro-benzoyl)oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C20H21N3O6S MolecularWeight: 431.46224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C2=CC(=C(C=C2)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O6S/c1-5-28-19(25)16-13(12(9-21)17(22)30-16)10-29-18(24)11-6-7-14(20(2,3)4)15(8-11)23(26)27/h6-8H,5,10,22H2,1-4H3