[4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-oxidanylidene-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-oxo-3-(tetrahydrofuran-2-ylmethylamino)prop-1-enyl]-2-ethoxy-phenyl] thiophene-2-carboxylate CAS Name: 2-thiophenecarboxylic acid [4-[(E)-2-cyano-3-oxo-3-(2-oxolanylmethylamino)prop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-oxo-3-(oxolan-2-ylmethylamino)prop-1-enyl]-2-ethoxyphenyl] thiophene-2-carboxylate Traditional Name: thiophene-2-carboxylic acid [4-[(E)-2-cyano-3-keto-3-(tetrahydrofurfurylamino)prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C22H22N2O5S MolecularWeight: 426.48548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NCC2CCCO2)OC(=O)C3=CC=CS3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NCC2CCCO2)OC(=O)C3=CC=CS3

InChI

InChI=1S/C22H22N2O5S/c1-2-27-19-12-15(7-8-18(19)29-22(26)20-6-4-10-30-20)11-16(13-23)21(25)24-14-17-5-3-9-28-17/h4,6-8,10-12,17H,2-3,5,9,14H2,1H3,(H,24,25)/b16-11+