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

Systemtic Name: ethyl 2-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

InChI

InChI=1S/C25H21N3O6S/c1-2-33-25(32)22-19(16-6-4-3-5-7-16)15-35-23(22)28-21(30)14-34-24(31)17-8-10-18(11-9-17)27-20(29)12-13-26/h3-11,15H,2,12,14H2,1H3,(H,27,29)(H,28,30)