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

Systemtic Name: (E)-2-cyano-3-[3-[(3,4-dichlorophenyl)sulfanylmethyl]-5-ethoxy-4-oxidanyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-[(3,4-dichlorophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxy-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[[(3,4-dichlorophenyl)thio]methyl]-5-ethoxy-4-hydroxyphenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-[(3,4-dichlorophenyl)sulfanylmethyl]-5-ethoxy-4-hydroxyphenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-[[(3,4-dichlorophenyl)thio]methyl]-5-ethoxy-4-hydroxy-phenyl]acrylamide Formula: C19H16Cl2N2O3S MolecularWeight: 423.31294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16Cl2N2O3S/c1-2-26-17-7-11(5-12(9-22)19(23)25)6-13(18(17)24)10-27-14-3-4-15(20)16(21)8-14/h3-8,24H,2,10H2,1H3,(H2,23,25)/b12-5+