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

Systemtic Name: (E)-2-cyano-3-[3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methoxy-4-oxidanyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[4-hydroxy-3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methoxy-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[4-hydroxy-3-[[(4-hydroxyphenyl)thio]methyl]-5-methoxyphenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[4-hydroxy-3-[(4-hydroxyphenyl)sulfanylmethyl]-5-methoxyphenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-hydroxy-3-[[(4-hydroxyphenyl)thio]methyl]-5-methoxy-phenyl]acrylamide Formula: C18H16N2O4S MolecularWeight: 356.39564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2O4S/c1-24-16-8-11(6-12(9-19)18(20)23)7-13(17(16)22)10-25-15-4-2-14(21)3-5-15/h2-8,21-22H,10H2,1H3,(H2,20,23)/b12-6+