(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide Openeye Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide CAS Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furanyl]-2-cyano-N-(4-nitrophenyl)-2-propenamide IUPAC Name: (E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-cyano-N-(4-nitrophenyl)prop-2-enamide Traditional Name: (E)-3-[5-(1,3-benzothiazol-2-yl)-2-furyl]-2-cyano-N-(4-nitrophenyl)acrylamide Formula: C21H12N4O4S MolecularWeight: 416.40938

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)C=C(C#N)C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)C3=CC=C(O3)/C=C(\C#N)/C(=O)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H12N4O4S/c22-12-13(20(26)23-14-5-7-15(8-6-14)25(27)28)11-16-9-10-18(29-16)21-24-17-3-1-2-4-19(17)30-21/h1-11H,(H,23,26)/b13-11+