ethyl 5-azanyl-4-cyano-3-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-(2-cyanoethanoylamino)phenyl]carbonyloxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-[(2-cyano-1-oxoethyl)amino]phenyl]-oxomethoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[4-[(2-cyanoacetyl)amino]benzoyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H16N4O5S MolecularWeight: 412.41914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N4O5S/c1-2-27-19(26)16-14(13(9-21)17(22)29-16)10-28-18(25)11-3-5-12(6-4-11)23-15(24)7-8-20/h3-6H,2,7,10,22H2,1H3,(H,23,24)