(1-cyanoindolizin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid (1-cyano-2-indolizinyl)methyl ester IUPAC Name: (1-cyanoindolizin-2-yl)methyl 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid (1-cyanoindolizin-2-yl)methyl ester Formula: C19H16N4O6S2 MolecularWeight: 460.48354

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)S(=O)(=O)NCC(=O)OCC2=CN3C=CC=CC3=C2C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H16N4O6S2/c1-30-18-6-5-14(8-17(18)23(25)26)31(27,28)21-10-19(24)29-12-13-11-22-7-3-2-4-16(22)15(13)9-20/h2-8,11,21H,10,12H2,1H3