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

Systemtic Name: ethyl 2-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate CAS Name: 2-[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-methyl-5-(methylcarbamoyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-methyl-5-(methylcarbamoyl)thiophene-3-carboxylic acid ethyl ester Formula: C22H22N4O7S MolecularWeight: 486.49768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)NC)NC(=O)COC(=O)C2=CC=C(C=C2)NC(=O)CC#N

InChI

InChI=1S/C22H22N4O7S/c1-4-32-22(31)17-12(2)18(19(29)24-3)34-20(17)26-16(28)11-33-21(30)13-5-7-14(8-6-13)25-15(27)9-10-23/h5-8H,4,9,11H2,1-3H3,(H,24,29)(H,25,27)(H,26,28)