ethyl 5-azanyl-3-[[(E)-but-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(E)-but-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-but-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-1-oxobut-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-but-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-but-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C13H14N2O4S MolecularWeight: 294.32626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C

InChI

InChI=1S/C13H14N2O4S/c1-3-5-10(16)19-7-9-8(6-14)12(15)20-11(9)13(17)18-4-2/h3,5H,4,7,15H2,1-2H3/b5-3+