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

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

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=CC=CC(=C1)C=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/c1-2-10-23-15-5-3-4-13(11-15)6-9-18-19-16-12-14(20(21)22)7-8-17(16)24-18/h2-9,11-12H,1,10H2/b9-6+