ethyl 4-cyano-5-[3-cyano-4-(5-morpholin-4-ylfuran-2-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[3-cyano-4-(5-morpholin-4-ylfuran-2-yl)-2-oxidanylidene-but-3-enyl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-[3-cyano-4-(5-morpholino-2-furyl)-2-oxo-but-3-enyl]-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-[3-cyano-4-[5-(4-morpholinyl)-2-furanyl]-2-oxobut-3-enyl]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-[3-cyano-4-(5-morpholin-4-ylfuran-2-yl)-2-oxobut-3-enyl]-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-[3-cyano-2-keto-4-(5-morpholino-2-furyl)but-3-enyl]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)N3CCOCC3)C#N)C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)CC(=O)C(=CC2=CC=C(O2)N3CCOCC3)C#N)C#N)C

InChI

InChI=1S/C22H21N3O5S/c1-3-29-22(27)21-14(2)17(13-24)19(31-21)11-18(26)15(12-23)10-16-4-5-20(30-16)25-6-8-28-9-7-25/h4-5,10H,3,6-9,11H2,1-2H3