(E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-hexoxy-3-methoxy-phenyl)acrylamide Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(C=C(C=C3S2)C)C)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(C=C(C=C3S2)C)C)OC

InChI

InChI=1S/C26H29N3O3S/c1-5-6-7-8-11-32-21-10-9-19(15-22(21)31-4)14-20(16-27)25(30)29-26-28-24-18(3)12-17(2)13-23(24)33-26/h9-10,12-15H,5-8,11H2,1-4H3,(H,28,29,30)/b20-14+