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

Systemtic Name: ethyl 4-[5-[(E)-2-cyano-3-oxidanylidene-3-thiophen-2-yl-prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-(2-thienyl)prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-cyano-3-oxo-3-thiophen-2-ylprop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-cyano-3-keto-3-(2-thienyl)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C21H15NO4S MolecularWeight: 377.4131

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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)C3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C(\C#N)/C(=O)C3=CC=CS3

InChI

InChI=1S/C21H15NO4S/c1-2-25-21(24)15-7-5-14(6-8-15)18-10-9-17(26-18)12-16(13-22)20(23)19-4-3-11-27-19/h3-12H,2H2,1H3/b16-12+