ethyl 4-[5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-yl]benzoate

Systemtic Name: ethyl 4-[5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-yl]benzoate Openeye Name: ethyl 4-[5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]-2-furyl]benzoate CAS Name: 4-[5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]-2-furanyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]furan-2-yl]benzoate Traditional Name: 4-[5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]-2-furyl]benzoic acid ethyl ester Formula: C22H16N2O5S MolecularWeight: 420.43784

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=CC3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)/C=C/C3=NC4=C(S3)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H16N2O5S/c1-2-28-22(25)15-5-3-14(4-6-15)19-10-8-17(29-19)9-12-21-23-18-13-16(24(26)27)7-11-20(18)30-21/h3-13H,2H2,1H3/b12-9+