[4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate

Systemtic Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate Openeye Name: [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-ethoxy-phenyl] furan-2-carboxylate CAS Name: 2-furancarboxylic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]-2-ethoxyphenyl] furan-2-carboxylate Traditional Name: furan-2-carboxylic acid [4-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-ethoxy-phenyl] ester Formula: C22H15N3O5S MolecularWeight: 433.4366

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC=CO3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=C(C=CS2)C#N)OC(=O)C3=CC=CO3

InChI

InChI=1S/C22H15N3O5S/c1-2-28-19-11-14(5-6-17(19)30-22(27)18-4-3-8-29-18)10-16(13-24)20(26)25-21-15(12-23)7-9-31-21/h3-11H,2H2,1H3,(H,25,26)/b16-10+