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

Systemtic Name: (E)-2-cyano-3-[3-ethoxy-5-[(4-methoxyphenyl)sulfanylmethyl]-4-oxidanyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-methoxyphenyl)sulfanylmethyl]phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[[(4-methoxyphenyl)thio]methyl]phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[(4-methoxyphenyl)sulfanylmethyl]phenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-ethoxy-4-hydroxy-5-[[(4-methoxyphenyl)thio]methyl]phenyl]acrylamide Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O4S/c1-3-26-18-10-13(8-14(11-21)20(22)24)9-15(19(18)23)12-27-17-6-4-16(25-2)5-7-17/h4-10,23H,3,12H2,1-2H3,(H2,22,24)/b14-8+