(E)-2-cyano-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(2-morpholino-4-phenyl-thiazol-5-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2-(4-morpholinyl)-4-phenyl-5-thiazolyl]-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)-2-propenamide IUPAC Name: (E)-2-cyano-3-(2-morpholin-4-yl-4-phenyl-1,3-thiazol-5-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enamide Traditional Name: (E)-2-cyano-3-(2-morpholino-4-phenyl-thiazol-5-yl)-N-(6-nitro-2,3-dihydro-1,4-benzodioxin-7-yl)acrylamide Formula: C25H21N5O6S MolecularWeight: 519.52914

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=NC(=C(S2)C=C(C#N)C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C5=CC=CC=C5

Isomeric SMILES

C1COCCN1C2=NC(=C(S2)/C=C(\C#N)/C(=O)NC3=CC4=C(C=C3[N+](=O)[O-])OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C25H21N5O6S/c26-15-17(24(31)27-18-13-20-21(36-11-10-35-20)14-19(18)30(32)33)12-22-23(16-4-2-1-3-5-16)28-25(37-22)29-6-8-34-9-7-29/h1-5,12-14H,6-11H2,(H,27,31)/b17-12+