ethyl 2-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-ethyl-5-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N)C

InChI

InChI=1S/C22H23N3O6S/c1-4-16-13(3)32-20(19(16)22(29)30-5-2)25-18(27)12-31-21(28)14-6-8-15(9-7-14)24-17(26)10-11-23/h6-9H,4-5,10,12H2,1-3H3,(H,24,26)(H,25,27)