N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide

Systemtic Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide Openeye Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-pentoxy-benzamide CAS Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide IUPAC Name: N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]-4-pentoxybenzamide Traditional Name: 4-amoxy-N-[3-(2-ethoxyethyl)-6-nitro-1,3-benzothiazol-2-ylidene]benzamide Formula: C23H27N3O5S MolecularWeight: 457.54258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCOCC

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)N=C2N(C3=C(S2)C=C(C=C3)[N+](=O)[O-])CCOCC

InChI

InChI=1S/C23H27N3O5S/c1-3-5-6-14-31-19-10-7-17(8-11-19)22(27)24-23-25(13-15-30-4-2)20-12-9-18(26(28)29)16-21(20)32-23/h7-12,16H,3-6,13-15H2,1-2H3