(E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-bis(oxidanyl)phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide

Systemtic Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-bis(oxidanyl)phenyl]-2-cyano-N-(phenylmethyl)prop-2-enamide Openeye Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-dihydroxy-phenyl]-N-benzyl-2-cyano-prop-2-enamide CAS Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4,5-dihydroxyphenyl]-2-cyano-N-(phenylmethyl)-2-propenamide IUPAC Name: (E)-3-[3-(1,3-benzothiazol-2-ylsulfanylmethyl)-4,5-dihydroxyphenyl]-N-benzyl-2-cyanoprop-2-enamide Traditional Name: (E)-3-[3-[(1,3-benzothiazol-2-ylthio)methyl]-4,5-dihydroxy-phenyl]-N-benzyl-2-cyano-acrylamide Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=O)C(=CC2=CC(=C(C(=C2)O)O)CSC3=NC4=CC=CC=C4S3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNC(=O)/C(=C/C2=CC(=C(C(=C2)O)O)CSC3=NC4=CC=CC=C4S3)/C#N

InChI

InChI=1S/C25H19N3O3S2/c26-13-18(24(31)27-14-16-6-2-1-3-7-16)10-17-11-19(23(30)21(29)12-17)15-32-25-28-20-8-4-5-9-22(20)33-25/h1-12,29-30H,14-15H2,(H,27,31)/b18-10+