2-phenylsulfanylethyl (2E)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-phenylsulfanylethyl (2E)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-phenylsulfanylethyl (2E)-2-[(2-cyanophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-cyanophenyl)methylidene]-3-oxobutanoic acid 2-(phenylthio)ethyl ester IUPAC Name: 2-phenylsulfanylethyl (2E)-2-[(2-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-cyanophenyl)acrylic acid 2-(phenylthio)ethyl ester Formula: C20H17NO3S MolecularWeight: 351.41888

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C#N)C(=O)OCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C#N)/C(=O)OCCSC2=CC=CC=C2

InChI

InChI=1S/C20H17NO3S/c1-15(22)19(13-16-7-5-6-8-17(16)14-21)20(23)24-11-12-25-18-9-3-2-4-10-18/h2-10,13H,11-12H2,1H3/b19-13+