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

Systemtic Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(3,4-dimethoxyphenyl)-N-(5,6-dimethyl-1,3-benzothiazol-2-yl)acrylamide Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C(=CC3=CC(=C(C=C3)OC)OC)C#N

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)/C(=C/C3=CC(=C(C=C3)OC)OC)/C#N

InChI

InChI=1S/C21H19N3O3S/c1-12-7-16-19(8-13(12)2)28-21(23-16)24-20(25)15(11-22)9-14-5-6-17(26-3)18(10-14)27-4/h5-10H,1-4H3,(H,23,24,25)/b15-9+