ethyl 5-azanyl-3-[2-[(4-tert-butylphenyl)carbonylamino]ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[2-[(4-tert-butylphenyl)carbonylamino]ethanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[2-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxoethoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[2-[(4-tert-butylbenzoyl)amino]acetyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C22H25N3O5S MolecularWeight: 443.516

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)CNC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C22H25N3O5S/c1-5-29-21(28)18-16(15(10-23)19(24)31-18)12-30-17(26)11-25-20(27)13-6-8-14(9-7-13)22(2,3)4/h6-9H,5,11-12,24H2,1-4H3,(H,25,27)