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

Systemtic Name: (E)-2-cyano-3-[3-methoxy-4-oxidanyl-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenylthio)methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-(phenylsulfanylmethyl)phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-hydroxy-3-methoxy-5-[(phenylthio)methyl]phenyl]acrylamide Formula: C18H16N2O3S MolecularWeight: 340.39624

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)C=C(C#N)C(=O)N

Isomeric SMILES

COC1=CC(=CC(=C1O)CSC2=CC=CC=C2)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C18H16N2O3S/c1-23-16-9-12(7-13(10-19)18(20)22)8-14(17(16)21)11-24-15-5-3-2-4-6-15/h2-9,21H,11H2,1H3,(H2,20,22)/b13-7+