2-[(E)-2-(4-hexoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-hexoxyphenyl)vinyl]-6-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-hexoxyphenyl)ethenyl]-6-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-hexoxyphenyl)vinyl]-6-nitro-1,3-benzothiazole Formula: C21H22N2O3S MolecularWeight: 382.47598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)C=CC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)/C=C/C2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O3S/c1-2-3-4-5-14-26-18-10-6-16(7-11-18)8-13-21-22-19-12-9-17(23(24)25)15-20(19)27-21/h6-13,15H,2-5,14H2,1H3/b13-8+