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

Systemtic Name: ethyl (E)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitro-phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitrophenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[4-(2-hydroxyethylsulfanyl)-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-(2-hydroxyethylthio)-3-nitro-phenyl]acrylic acid ethyl ester Formula: C14H14N2O5S MolecularWeight: 322.33636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5S/c1-2-21-14(18)11(9-15)7-10-3-4-13(22-6-5-17)12(8-10)16(19)20/h3-4,7-8,17H,2,5-6H2,1H3/b11-7+