(E)-2-cyano-3-[3-[(5-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanyl-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[3-[(5-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-5-methoxy-4-oxidanyl-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-3-[3-[(5-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-hydroxy-5-methoxy-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-3-[3-[[(5-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-4-hydroxy-5-methoxyphenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-[3-[(5-ethoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-4-hydroxy-5-methoxyphenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-[[(5-ethoxy-1,3-benzothiazol-2-yl)thio]methyl]-4-hydroxy-5-methoxy-phenyl]acrylamide Formula: C21H19N3O4S2 MolecularWeight: 441.52326

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)SC(=N2)SCC3=C(C(=CC(=C3)C=C(C#N)C(=O)N)OC)O

Isomeric SMILES

CCOC1=CC2=C(C=C1)SC(=N2)SCC3=C(C(=CC(=C3)/C=C(\C#N)/C(=O)N)OC)O

InChI

InChI=1S/C21H19N3O4S2/c1-3-28-15-4-5-18-16(9-15)24-21(30-18)29-11-14-7-12(6-13(10-22)20(23)26)8-17(27-2)19(14)25/h4-9,25H,3,11H2,1-2H3,(H2,23,26)/b13-6+