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

Systemtic Name: 2-(phenylmethylsulfanyl)ethyl (2E)-2-[(2-cyanophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-benzylsulfanylethyl (2E)-2-[(2-cyanophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(2-cyanophenyl)methylidene]-3-oxobutanoic acid 2-(phenylmethylthio)ethyl ester IUPAC Name: 2-benzylsulfanylethyl (2E)-2-[(2-cyanophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(2-cyanophenyl)acrylic acid 2-(benzylthio)ethyl ester Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=CC=C1C#N)C(=O)OCCSCC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC=CC=C1C#N)/C(=O)OCCSCC2=CC=CC=C2

InChI

InChI=1S/C21H19NO3S/c1-16(23)20(13-18-9-5-6-10-19(18)14-22)21(24)25-11-12-26-15-17-7-3-2-4-8-17/h2-10,13H,11-12,15H2,1H3/b20-13+