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

Systemtic Name: (E)-2-cyano-3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-ethoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-N-(6-nitro-1,3-benzothiazol-2-yl)-3-p-phenetyl-acrylamide Formula: C19H14N4O4S MolecularWeight: 394.40386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O4S/c1-2-27-15-6-3-12(4-7-15)9-13(11-20)18(24)22-19-21-16-8-5-14(23(25)26)10-17(16)28-19/h3-10H,2H2,1H3,(H,21,22,24)/b13-9+