(E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide

Systemtic Name: (E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide Openeye Name: (E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide CAS Name: (E)-3-(6-methoxy-2,3,7-trimethyl-5-benzofuranyl)-N-(6-nitro-1,3-benzothiazol-2-yl)-2-butenamide IUPAC Name: (E)-3-(6-methoxy-2,3,7-trimethyl-1-benzofuran-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide Traditional Name: (E)-3-(6-methoxy-2,3,7-trimethyl-benzofuran-5-yl)-N-(6-nitro-1,3-benzothiazol-2-yl)but-2-enamide Formula: C23H21N3O5S MolecularWeight: 451.49494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C(C(=C(C=C12)C(=CC(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])C)OC)C)C

Isomeric SMILES

CC1=C(OC2=C(C(=C(C=C12)/C(=C/C(=O)NC3=NC4=C(S3)C=C(C=C4)[N+](=O)[O-])/C)OC)C)C

InChI

InChI=1S/C23H21N3O5S/c1-11(16-10-17-12(2)14(4)31-22(17)13(3)21(16)30-5)8-20(27)25-23-24-18-7-6-15(26(28)29)9-19(18)32-23/h6-10H,1-5H3,(H,24,25,27)/b11-8+