2-ethanoylsulfanylethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate

Systemtic Name: 2-ethanoylsulfanylethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxidanylidene-butanoate Openeye Name: 2-acetylsulfanylethyl (2Z)-2-[(3-nitrophenyl)methylene]-3-oxo-butanoate CAS Name: (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoic acid 2-(acetylthio)ethyl ester IUPAC Name: 2-acetylsulfanylethyl (2Z)-2-[(3-nitrophenyl)methylidene]-3-oxobutanoate Traditional Name: (Z)-2-acetyl-3-(3-nitrophenyl)acrylic acid 2-(acetylthio)ethyl ester Formula: C15H15NO6S MolecularWeight: 337.3477

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)/C(=C/C1=CC(=CC=C1)[N+](=O)[O-])/C(=O)OCCSC(=O)C

InChI

InChI=1S/C15H15NO6S/c1-10(17)14(15(19)22-6-7-23-11(2)18)9-12-4-3-5-13(8-12)16(20)21/h3-5,8-9H,6-7H2,1-2H3/b14-9-