ethyl (E)-3-(1,3-benzothiazol-2-yldiazenyl)but-2-enoate

Systemtic Name: ethyl (E)-3-(1,3-benzothiazol-2-yldiazenyl)but-2-enoate Openeye Name: ethyl (E)-3-(1,3-benzothiazol-2-ylazo)but-2-enoate CAS Name: (E)-3-(1,3-benzothiazol-2-ylazo)-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(1,3-benzothiazol-2-yldiazenyl)but-2-enoate Traditional Name: (E)-3-(1,3-benzothiazol-2-ylazo)but-2-enoic acid ethyl ester Formula: C13H13N3O2S MolecularWeight: 275.32622

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=C(C)N=NC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCOC(=O)/C=C(\C)/N=NC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H13N3O2S/c1-3-18-12(17)8-9(2)15-16-13-14-10-6-4-5-7-11(10)19-13/h4-8H,3H2,1-2H3/b9-8+,16-15?