(E)-N-[4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-2-cyano-3-(2,4,5-trimethylphenyl)prop-2-enamide

Systemtic Name: (E)-N-[4-[3,4-bis(oxidanyl)phenyl]-1,3-thiazol-2-yl]-2-cyano-3-(2,4,5-trimethylphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-[4-(3,4-dihydroxyphenyl)thiazol-2-yl]-3-(2,4,5-trimethylphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-[4-(3,4-dihydroxyphenyl)-2-thiazolyl]-3-(2,4,5-trimethylphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]-3-(2,4,5-trimethylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-[4-(3,4-dihydroxyphenyl)thiazol-2-yl]-3-(2,4,5-trimethylphenyl)acrylamide Formula: C22H19N3O3S MolecularWeight: 405.46956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C=C(C#N)C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)O)O)C)C

Isomeric SMILES

CC1=CC(=C(C=C1/C=C(\C#N)/C(=O)NC2=NC(=CS2)C3=CC(=C(C=C3)O)O)C)C

InChI

InChI=1S/C22H19N3O3S/c1-12-6-14(3)16(7-13(12)2)8-17(10-23)21(28)25-22-24-18(11-29-22)15-4-5-19(26)20(27)9-15/h4-9,11,26-27H,1-3H3,(H,24,25,28)/b17-8+