(E)-2-cyano-3-[3-ethoxy-5-[(4-nitrophenyl)sulfanylmethyl]-4-oxidanyl-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-ethoxy-5-[(4-nitrophenyl)sulfanylmethyl]-4-oxidanyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[[(4-nitrophenyl)thio]methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-nitrophenyl)sulfanylmethyl]phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[[(4-nitrophenyl)thio]methyl]phenyl]acrylamide Formula: C19H17N3O5S MolecularWeight: 399.42038

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)[N+](=O)[O-])/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C19H17N3O5S/c1-2-27-17-9-12(7-13(10-20)19(21)24)8-14(18(17)23)11-28-16-5-3-15(4-6-16)22(25)26/h3-9,23H,2,11H2,1H3,(H2,21,24)/b13-7+