5-nitro-2-[(E)-2-(2-prop-2-enoxyphenyl)ethenyl]-1,3-benzothiazole

Systemtic Name: 5-nitro-2-[(E)-2-(2-prop-2-enoxyphenyl)ethenyl]-1,3-benzothiazole Openeye Name: 2-[(E)-2-(2-allyloxyphenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 5-nitro-2-[(E)-2-(2-prop-2-enoxyphenyl)ethenyl]-1,3-benzothiazole IUPAC Name: 5-nitro-2-[(E)-2-(2-prop-2-enoxyphenyl)ethenyl]-1,3-benzothiazole Traditional Name: 2-[(E)-2-(2-allyloxyphenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C18H14N2O3S MolecularWeight: 338.38036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC=C1C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H14N2O3S/c1-2-11-23-16-6-4-3-5-13(16)7-10-18-19-15-12-14(20(21)22)8-9-17(15)24-18/h2-10,12H,1,11H2/b10-7+