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

Systemtic Name: (E)-3-[3-[(2-acetamidophenyl)sulfanylmethyl]-5-methoxy-4-oxidanyl-phenyl]-2-cyano-prop-2-enamide Openeye Name: (E)-3-[3-[(2-acetamidophenyl)sulfanylmethyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[[(2-acetamidophenyl)thio]methyl]-4-hydroxy-5-methoxyphenyl]-2-cyano-2-propenamide IUPAC Name: (E)-3-[3-[(2-acetamidophenyl)sulfanylmethyl]-4-hydroxy-5-methoxyphenyl]-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[[(2-acetamidophenyl)thio]methyl]-4-hydroxy-5-methoxy-phenyl]-2-cyano-acrylamide Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1SCC2=C(C(=CC(=C2)C=C(C#N)C(=O)N)OC)O

Isomeric SMILES

CC(=O)NC1=CC=CC=C1SCC2=C(C(=CC(=C2)/C=C(\C#N)/C(=O)N)OC)O

InChI

InChI=1S/C20H19N3O4S/c1-12(24)23-16-5-3-4-6-18(16)28-11-15-8-13(7-14(10-21)20(22)26)9-17(27-2)19(15)25/h3-9,25H,11H2,1-2H3,(H2,22,26)(H,23,24)/b14-7+