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

Systemtic Name: ethyl 4-[5-[2-cyano-3-oxidanylidene-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[2-cyano-3-oxo-3-(2-thienylmethylamino)prop-1-enyl]-2-furyl]benzoate CAS Name: 4-[5-[2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[2-cyano-3-oxo-3-(thiophen-2-ylmethylamino)prop-1-enyl]furan-2-yl]benzoate Traditional Name: 4-[5-[2-cyano-3-keto-3-(2-thenylamino)prop-1-enyl]-2-furyl]benzoic acid ethyl ester Formula: C22H18N2O4S MolecularWeight: 406.45432

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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)NCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C(C#N)C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H18N2O4S/c1-2-27-22(26)16-7-5-15(6-8-16)20-10-9-18(28-20)12-17(13-23)21(25)24-14-19-4-3-11-29-19/h3-12H,2,14H2,1H3,(H,24,25)