2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-morpholin-4-yl-ethanone

Systemtic Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-morpholin-4-yl-ethanone Openeye Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]-1-morpholino-ethanone CAS Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-(4-morpholinyl)ethanone IUPAC Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)ethenyl]phenoxy]-1-morpholin-4-ylethanone Traditional Name: 2-[2-methoxy-4-[(E)-2-(6-nitro-1,3-benzothiazol-2-yl)vinyl]phenoxy]-1-morpholino-ethanone Formula: C22H21N3O6S MolecularWeight: 455.48364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)N4CCOCC4

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OCC(=O)N4CCOCC4

InChI

InChI=1S/C22H21N3O6S/c1-29-19-12-15(2-6-18(19)31-14-22(26)24-8-10-30-11-9-24)3-7-21-23-17-5-4-16(25(27)28)13-20(17)32-21/h2-7,12-13H,8-11,14H2,1H3/b7-3+