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

Systemtic Name: 2-[(E)-2-(3-ethoxy-2-propoxy-phenyl)ethenyl]-5-nitro-1,3-benzothiazole Openeye Name: 2-[(E)-2-(3-ethoxy-2-propoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole CAS Name: 2-[(E)-2-(3-ethoxy-2-propoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole IUPAC Name: 2-[(E)-2-(3-ethoxy-2-propoxyphenyl)ethenyl]-5-nitro-1,3-benzothiazole Traditional Name: 2-[(E)-2-(3-ethoxy-2-propoxy-phenyl)vinyl]-5-nitro-1,3-benzothiazole Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OCC)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=CC=C1OCC)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O4S/c1-3-12-26-20-14(6-5-7-17(20)25-4-2)8-11-19-21-16-13-15(22(23)24)9-10-18(16)27-19/h5-11,13H,3-4,12H2,1-2H3/b11-8+