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

Systemtic Name: (E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-hydroxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[[(4-tert-butylphenyl)thio]methyl]-5-ethoxy-4-hydroxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-[(4-tert-butylphenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[[(4-tert-butylphenyl)thio]methyl]-5-ethoxy-4-hydroxy-phenyl]-2-cyano-acrylamide Formula: C23H26N2O3S MolecularWeight: 410.52914

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)C(C)(C)C)C=C(C#N)C(=O)N

Isomeric SMILES

CCOC1=CC(=CC(=C1O)CSC2=CC=C(C=C2)C(C)(C)C)/C=C(\C#N)/C(=O)N

InChI

InChI=1S/C23H26N2O3S/c1-5-28-20-12-15(10-16(13-24)22(25)27)11-17(21(20)26)14-29-19-8-6-18(7-9-19)23(2,3)4/h6-12,26H,5,14H2,1-4H3,(H2,25,27)/b16-10+