ethyl (E)-2-cyano-3-[4-(furan-2-ylmethylsulfanyl)-3-nitro-phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[4-(furan-2-ylmethylsulfanyl)-3-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(2-furylmethylsulfanyl)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(2-furanylmethylthio)-3-nitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(furan-2-ylmethylsulfanyl)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(2-furfurylthio)-3-nitro-phenyl]acrylic acid ethyl ester Formula: C17H14N2O5S MolecularWeight: 358.36846

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=C(C=C1)SCC2=CC=CO2)[N+](=O)[O-])C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=C(C=C1)SCC2=CC=CO2)[N+](=O)[O-])/C#N

InChI

InChI=1S/C17H14N2O5S/c1-2-23-17(20)13(10-18)8-12-5-6-16(15(9-12)19(21)22)25-11-14-4-3-7-24-14/h3-9H,2,11H2,1H3/b13-8+