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

Systemtic Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-butoxyphenyl)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)acrylamide Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C23H23N3O2S/c1-4-5-10-28-19-8-6-17(7-9-19)13-18(14-24)22(27)26-23-25-21-16(3)11-15(2)12-20(21)29-23/h6-9,11-13H,4-5,10H2,1-3H3,(H,25,26,27)/b18-13+