2-[2-ethoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-N,N-dimethyl-ethanamide

Systemtic Name: 2-[2-ethoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-N,N-dimethyl-ethanamide Openeye Name: 2-[2-ethoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]-N,N-dimethyl-acetamide CAS Name: 2-[2-ethoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-N,N-dimethylacetamide IUPAC Name: 2-[2-ethoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-N,N-dimethylacetamide Traditional Name: 2-[2-ethoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]-N,N-dimethyl-acetamide Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)N(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)N(C)C

InChI

InChI=1S/C21H21N3O5S/c1-4-28-18-11-14(5-9-17(18)29-13-21(25)23(2)3)6-10-20-22-16-8-7-15(24(26)27)12-19(16)30-20/h5-12H,4,13H2,1-3H3/b10-6+