(E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)prop-2-enamide

Systemtic Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-5-prop-2-enyl-phenyl)prop-2-enamide Openeye Name: (E)-3-(3-allyl-4-hydroxy-5-methoxy-phenyl)-N-(1,3-benzothiazol-2-yl)-2-cyano-prop-2-enamide CAS Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)-2-propenamide IUPAC Name: (E)-N-(1,3-benzothiazol-2-yl)-2-cyano-3-(4-hydroxy-3-methoxy-5-prop-2-enylphenyl)prop-2-enamide Traditional Name: (E)-3-(3-allyl-4-hydroxy-5-methoxy-phenyl)-N-(1,3-benzothiazol-2-yl)-2-cyano-acrylamide Formula: C21H17N3O3S MolecularWeight: 391.44298

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)CC=C)C=C(C#N)C(=O)NC2=NC3=CC=CC=C3S2

Isomeric SMILES

COC1=CC(=CC(=C1O)CC=C)/C=C(\C#N)/C(=O)NC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H17N3O3S/c1-3-6-14-9-13(11-17(27-2)19(14)25)10-15(12-22)20(26)24-21-23-16-7-4-5-8-18(16)28-21/h3-5,7-11,25H,1,6H2,2H3,(H,23,24,26)/b15-10+