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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(E)-1-oxo-3-(2-quinoxalinyl)prop-2-enoxy]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[(E)-3-quinoxalin-2-ylprop-2-enoyl]oxymethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[(E)-3-quinoxalin-2-ylacryloyl]oxymethyl]thiophene-2-carboxylic acid ethyl ester Formula: C20H16N4O4S MolecularWeight: 408.43044

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=NC3=CC=CC=C3N=C2

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=NC3=CC=CC=C3N=C2

InChI

InChI=1S/C20H16N4O4S/c1-2-27-20(26)18-14(13(9-21)19(22)29-18)11-28-17(25)8-7-12-10-23-15-5-3-4-6-16(15)24-12/h3-8,10H,2,11,22H2,1H3/b8-7+