2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole

Systemtic Name: 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(4-butoxy-3-ethoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(4-butoxy-3-ethoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])OCC

InChI

InChI=1S/C21H22N2O4S/c1-3-5-12-27-18-9-6-15(13-19(18)26-4-2)7-11-21-22-17-14-16(23(24)25)8-10-20(17)28-21/h6-11,13-14H,3-5,12H2,1-2H3/b11-7+