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

Systemtic Name: ethyl 5-azanyl-3-[3-[(4-tert-butylphenyl)carbonylamino]propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[3-[(4-tert-butylbenzoyl)amino]propanoyloxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[3-[(4-tert-butylbenzoyl)amino]propanoyloxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[3-[(4-tert-butylbenzoyl)amino]propanoyloxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-5-30-22(29)19-17(16(12-24)20(25)32-19)13-31-18(27)10-11-26-21(28)14-6-8-15(9-7-14)23(2,3)4/h6-9H,5,10-11,13,25H2,1-4H3,(H,26,28)