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

Systemtic Name: (E)-2-cyano-3-[3-ethoxy-4-oxidanyl-5-(3-phenylpropylsulfanylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(3-phenylpropylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(3-phenylpropylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-(3-phenylpropylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(3-phenylpropylthio)methyl]phenyl]acrylamide Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSCCCC2=CC=CC=C2)C=C(C#N)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSCCCC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C22H24N2O3S/c1-2-27-20-13-17(11-18(14-23)22(24)26)12-19(21(20)25)15-28-10-6-9-16-7-4-3-5-8-16/h3-5,7-8,11-13,25H,2,6,9-10,15H2,1H3,(H2,24,26)/b18-11+