(E)-2-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-ethoxy-phenyl)-2-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-ethoxy-phenyl)-2-cyano-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acrylamide Formula: C28H25N3O3S MolecularWeight: 483.5814

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C(=C3)C)C)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C(=C3)C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C28H25N3O3S/c1-4-33-25-15-21(10-11-24(25)34-17-20-8-6-5-7-9-20)14-22(16-29)27(32)31-28-30-23-12-18(2)19(3)13-26(23)35-28/h5-15H,4,17H2,1-3H3,(H,30,31,32)/b22-14+