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

Systemtic Name: ethyl 3-[2-[4-(2-cyanoethanoylamino)phenyl]carbonyloxyethanoylamino]-5-phenyl-thiophene-2-carboxylate Openeye Name: ethyl 3-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylate CAS Name: 3-[[2-[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]-1-oxoethyl]amino]-5-phenyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 3-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-5-phenylthiophene-2-carboxylate Traditional Name: 3-[[2-[4-[(2-cyanoacetyl)amino]benzoyl]oxyacetyl]amino]-5-phenyl-thiophene-2-carboxylic acid ethyl ester Formula: C25H21N3O6S MolecularWeight: 491.51574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)C2=CC=CC=C2)NC(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)C2=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)23-19(14-20(35-23)16-6-4-3-5-7-16)28-22(30)15-34-24(31)17-8-10-18(11-9-17)27-21(29)12-13-26/h3-11,14H,2,12,15H2,1H3,(H,27,29)(H,28,30)