ethyl (E)-3-azanyl-2-cyano-3-[(5E)-4-oxidanylidene-5-[oxidanyl(phenyl)methylidene]-2-phenacylsulfanyl-thiophen-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-azanyl-2-cyano-3-[(5E)-4-oxidanylidene-5-[oxidanyl(phenyl)methylidene]-2-phenacylsulfanyl-thiophen-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-amino-2-cyano-3-[(5E)-5-[hydroxy(phenyl)methylene]-4-oxo-2-phenacylsulfanyl-3-thienyl]prop-2-enoate CAS Name: (E)-3-amino-2-cyano-3-[(5E)-5-[hydroxy(phenyl)methylidene]-4-oxo-2-(phenacylthio)-3-thiophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-amino-2-cyano-3-[(5E)-5-[hydroxy(phenyl)methylidene]-4-oxo-2-phenacylsulfanylthiophen-3-yl]prop-2-enoate Traditional Name: (E)-3-amino-2-cyano-3-[(5E)-5-[hydroxy(phenyl)methylene]-4-keto-2-(phenacylthio)-3-thienyl]acrylic acid ethyl ester Formula: C25H20N2O5S2 MolecularWeight: 492.5667

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(C1=C(SC(=C(C2=CC=CC=C2)O)C1=O)SCC(=O)C3=CC=CC=C3)N)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\C1=C(S/C(=C(\C2=CC=CC=C2)/O)/C1=O)SCC(=O)C3=CC=CC=C3)/N)/C#N

InChI

InChI=1S/C25H20N2O5S2/c1-2-32-24(31)17(13-26)20(27)19-22(30)23(21(29)16-11-7-4-8-12-16)34-25(19)33-14-18(28)15-9-5-3-6-10-15/h3-12,29H,2,14,27H2,1H3/b20-17+,23-21+