(E)-2-cyano-3-[4-oxidanyl-3-phenylmethoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[4-oxidanyl-3-phenylmethoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-3-[3-benzyloxy-4-hydroxy-5-(phenylsulfanylmethyl)phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-2-cyano-3-[4-hydroxy-3-phenylmethoxy-5-[(phenylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3-phenylmethoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-3-[3-benzoxy-4-hydroxy-5-[(phenylthio)methyl]phenyl]-2-cyano-acrylamide Formula: C24H20N2O3S MolecularWeight: 416.4922

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC(=CC(=C2O)CSC3=CC=CC=C3)C=C(C#N)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC(=CC(=C2O)CSC3=CC=CC=C3)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C24H20N2O3S/c25-14-19(24(26)28)11-18-12-20(16-30-21-9-5-2-6-10-21)23(27)22(13-18)29-15-17-7-3-1-4-8-17/h1-13,27H,15-16H2,(H2,26,28)/b19-11+