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

Systemtic Name: (E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(4-ethoxy-3-methoxyphenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(4-ethoxy-3-methoxy-phenyl)-N-(6-nitro-1,3-benzothiazol-2-yl)acrylamide Formula: C20H16N4O5S MolecularWeight: 424.42984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16N4O5S/c1-3-29-16-7-4-12(9-17(16)28-2)8-13(11-21)19(25)23-20-22-15-6-5-14(24(26)27)10-18(15)30-20/h4-10H,3H2,1-2H3,(H,22,23,25)/b13-8+