ethyl 4-[5-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxidanylidene-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-oxo-prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-[(3-cyano-2-thiophenyl)amino]-3-oxoprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-[(3-cyanothiophen-2-yl)amino]-3-oxoprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-[(3-cyano-2-thienyl)amino]-3-keto-prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C22H15N3O4S MolecularWeight: 417.4372

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C22H15N3O4S/c1-2-28-22(27)15-5-3-14(4-6-15)19-8-7-18(29-19)11-17(13-24)20(26)25-21-16(12-23)9-10-30-21/h3-11H,2H2,1H3,(H,25,26)/b17-11+