ethyl 4-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]butanoate

Systemtic Name: ethyl 4-[[(E)-1-methylsulfanyl-2-nitro-ethenyl]amino]butanoate Openeye Name: ethyl 4-[[(E)-1-methylsulfanyl-2-nitro-vinyl]amino]butanoate CAS Name: 4-[[(E)-1-(methylthio)-2-nitroethenyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[(E)-1-methylsulfanyl-2-nitroethenyl]amino]butanoate Traditional Name: 4-[[(E)-1-(methylthio)-2-nitro-vinyl]amino]butyric acid ethyl ester Formula: C9H16N2O4S MolecularWeight: 248.29934

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=C[N+](=O)[O-])SC

Isomeric SMILES

CCOC(=O)CCCN/C(=C\[N+](=O)[O-])/SC

InChI

InChI=1S/C9H16N2O4S/c1-3-15-9(12)5-4-6-10-8(16-2)7-11(13)14/h7,10H,3-6H2,1-2H3/b8-7+