(E)-2-cyano-3-[3-methoxy-5-(naphthalen-1-ylsulfanylmethyl)-4-oxidanyl-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-methoxy-5-(naphthalen-1-ylsulfanylmethyl)-4-oxidanyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(1-naphthylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(1-naphthalenylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(naphthalen-1-ylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(1-naphthylthio)methyl]phenyl]acrylamide Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC3=CC=CC=C32)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC3=CC=CC=C32)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C22H18N2O3S/c1-27-19-11-14(9-16(12-23)22(24)26)10-17(21(19)25)13-28-20-8-4-6-15-5-2-3-7-18(15)20/h2-11,25H,13H2,1H3,(H2,24,26)/b16-9+