2-cyano-1-ethoxy-3-methylsulfanyl-3-(4-nitrophenyl)sulfonylimino-prop-1-en-1-olate

Systemtic Name: 2-cyano-1-ethoxy-3-methylsulfanyl-3-(4-nitrophenyl)sulfonylimino-prop-1-en-1-olate Openeye Name: 2-cyano-1-ethoxy-3-methylsulfanyl-3-(4-nitrophenyl)sulfonylimino-prop-1-en-1-olate CAS Name: 2-cyano-1-ethoxy-3-(methylthio)-3-(4-nitrophenyl)sulfonylimino-1-propen-1-olate IUPAC Name: 2-cyano-1-ethoxy-3-methylsulfanyl-3-(4-nitrophenyl)sulfonyliminoprop-1-en-1-olate Traditional Name: 2-cyano-1-ethoxy-3-(methylthio)-3-nosylimino-prop-1-en-1-olate Formula: C13H12N3O6S2- MolecularWeight: 370.38088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C(=NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC)[O-]

Isomeric SMILES

CCOC(=C(C#N)C(=NS(=O)(=O)C1=CC=C(C=C1)[N+](=O)[O-])SC)[O-]

InChI

InChI=1S/C13H13N3O6S2/c1-3-22-13(17)11(8-14)12(23-2)15-24(20,21)10-6-4-9(5-7-10)16(18)19/h4-7,17H,3H2,1-2H3/p-1