3-phenylsulfanylpropyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 3-phenylsulfanylpropyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 3-phenylsulfanylpropyl (2E)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 3-(phenylthio)propyl ester IUPAC Name: 3-phenylsulfanylpropyl (2E)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (E)-2-acetyl-3-(3-nitrophenyl)acrylic acid 3-(phenylthio)propyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC(=CC=C1)[N+](=O)[O-])C(=O)OCCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)/C(=C\C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCCSC2=CC=CC=C2

InChI

InChI=1S/C20H19NO5S/c1-15(22)19(14-16-7-5-8-17(13-16)21(24)25)20(23)26-11-6-12-27-18-9-3-2-4-10-18/h2-5,7-10,13-14H,6,11-12H2,1H3/b19-14+