phenacyl 4-oxidanylidene-4-[[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]amino]butanoate

Systemtic Name: phenacyl 4-oxidanylidene-4-[[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenyl]amino]butanoate Openeye Name: phenacyl 4-oxo-4-[4-[(E)-3-(2-thienyl)prop-2-enoyl]anilino]butanoate CAS Name: 4-oxo-4-[4-[(E)-1-oxo-3-thiophen-2-ylprop-2-enyl]anilino]butanoic acid phenacyl ester IUPAC Name: phenacyl 4-oxo-4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]anilino]butanoate Traditional Name: 4-keto-4-[4-[(E)-3-(2-thienyl)acryloyl]anilino]butyric acid phenacyl ester Formula: C25H21NO5S MolecularWeight: 447.50294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)C(=O)COC(=O)CCC(=O)NC2=CC=C(C=C2)C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C25H21NO5S/c27-22(13-12-21-7-4-16-32-21)19-8-10-20(11-9-19)26-24(29)14-15-25(30)31-17-23(28)18-5-2-1-3-6-18/h1-13,16H,14-15,17H2,(H,26,29)/b13-12+