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

Systemtic Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide Openeye Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide CAS Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)-2-propenamide IUPAC Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-(4-propoxyphenyl)acrylamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(C=C(C=C3S2)C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(C=C(C=C3S2)C)C

InChI

InChI=1S/C22H21N3O2S/c1-4-9-27-18-7-5-16(6-8-18)12-17(13-23)21(26)25-22-24-20-15(3)10-14(2)11-19(20)28-22/h5-8,10-12H,4,9H2,1-3H3,(H,24,25,26)/b17-12+